SCHEMBL2000837

SCHEMBL2000837

[CH2]CCOc1cccc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
MAPK1 P28482 1/20 0.59
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
KMT2A Q03164 3/20 0.54
KCNH2 Q12809 1/20 0.54
WDR5 P61964 1/20 0.51
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 1/20 0.51
HRH3 Q9Y5N1 4/20 0.50
CYP2D6 P10635 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6470787 0.90 DRD2 (0.58) LMNAMAPK1HTTSMN1; SMN2DRD2
SCHEMBL9808215 0.87 LMNA (0.67) LMNAMAPK1HTTSMN1; SMN2DRD2
SCHEMBL28540629 0.87 HRH3 (0.57) LMNAMAPK1HTTSMN1; SMN2DRD2
SCHEMBL8778541 0.87 HRH3 (0.57) LMNAMAPK1HTTSMN1; SMN2DRD2
SCHEMBL535552 0.83 WDR5 (0.55) LMNAMAPK1HTTSMN1; SMN2DRD2
SCHEMBL366494 0.82 LMNA (0.57) LMNAMAPK1HTTSMN1; SMN2DRD2
SCHEMBL1685432 0.82 DRD2 (0.62) LMNAMAPK1HTTSMN1; SMN2DRD2
SCHEMBL9808100 0.82 DRD2 (0.72) LMNAMAPK1HTTSMN1; SMN2DRD2
SCHEMBL3957187 0.82 LMNA (0.61) LMNAMAPK1HTTSMN1; SMN2DRD2
SCHEMBL2096611 0.80 KMT2A (0.62) LMNAMAPK1HTTSMN1; SMN2DRD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 64 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960380-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2011-06-14 US claimed
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators ASTRAZENECA AB (SE) 2010-09-09 US claimed
US-7723333-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2010-05-25 US claimed
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2009-01-01 US claimed
CN-101137628-A Non-anilinic derivatives of isothiazol-3(2h)-one 1,1-dioxides as liver x receptor modulators ASTRAZENECA AB (SE) 2008-03-05 CN claimed
EP-1838687-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP claimed
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO claimed
WO-2006073366-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO claimed
US-6903090-B2 Such as 10-(2-ethoxyphenyl)-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole; for treatment of anxiety, depression, schizophrenia, epilepsy, migraine, Alzheimers disease, sleep disorders, obesity, stress related diseases, and/or drug withdrawal PFIZER (US) 2005-06-07 US claimed
US-6828314-B2 Modulation of the activity of serotonin receptors (5-HT) to treat diseases such as anxiety, depression or obesity PFIZER 2004-12-07 US claimed
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives PHARMACIA & UPJOHN COMPANY 2003-12-04 US claimed
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2003-11-27 US claimed
US-6586421-B2 For therapy of central nervous system, including diseases, disorders, and conditions related to, such as anxiety, depression, hypertension, migraine, obesity, compulsive disorders, schizophrenia, autism, neurodegenerative disorders PHARMACIA & UPJOHN COMPANY 2003-07-01 US claimed
EP-1319004-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP claimed
EP-1319005-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP claimed
US-20020107278-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2002-08-08 US claimed
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives PHARMACIA & UPJOHN COMPANY 2002-06-20 US claimed
WO-2002024701-A2 SUBSTITUTED AZEPINO[4,5B)INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO claimed
WO-2002024700-A2 SUBSTITUTED AZEPINO[4,5b]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO claimed
EP-3071560-B1 N-ACYLIMINO HETEROCYCLIC COMPOUNDS BASF SE (DE) 2018-01-10 EP disclosed
US-9783523-B2 N-acylimino heterocyclic compounds BASF SE (DE) 2017-10-10 US disclosed
US-20160297793-A1 N-ACYLIMINO HETEROCYCLIC COMPOUNDS BASF SE (DE) 2016-10-13 US disclosed
CN-105254552-A 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS THERAVANCE INC 2016-01-20 CN disclosed
US-7960380-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2011-06-14 US disclosed
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators ASTRAZENECA AB (SE) 2010-09-09 US disclosed
US-7723333-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2010-05-25 US disclosed
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2009-01-01 US disclosed
CN-101137628-A Non-anilinic derivatives of isothiazol-3(2h)-one 1,1-dioxides as liver x receptor modulators ASTRAZENECA AB (SE) 2008-03-05 CN disclosed
EP-1838687-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO disclosed
WO-2006073366-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO disclosed
US-6903090-B2 Such as 10-(2-ethoxyphenyl)-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole; for treatment of anxiety, depression, schizophrenia, epilepsy, migraine, Alzheimers disease, sleep disorders, obesity, stress related diseases, and/or drug withdrawal PFIZER (US) 2005-06-07 US disclosed
US-6828314-B2 Modulation of the activity of serotonin receptors (5-HT) to treat diseases such as anxiety, depression or obesity PFIZER 2004-12-07 US disclosed
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives PHARMACIA & UPJOHN COMPANY 2003-12-04 US disclosed
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2003-11-27 US disclosed
US-6586421-B2 For therapy of central nervous system, including diseases, disorders, and conditions related to, such as anxiety, depression, hypertension, migraine, obesity, compulsive disorders, schizophrenia, autism, neurodegenerative disorders PHARMACIA & UPJOHN COMPANY 2003-07-01 US disclosed
US-6583135-B2 Treating central nervous system disorders wherein modulation of the activity of serotonin receptors (5-HT) is desired (e.g. anxiety, depression and obesity). PHARMACIA & UPJOHN COMPANY 2003-06-24 US disclosed
EP-1319004-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP disclosed
EP-1319005-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP disclosed
EP-0741694-B1 PHENYL ACETIC ACID DERIVATIVES, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND AGENTS CONTAINING THEM BASF AG (DE) 2003-04-02 EP disclosed
US-20020107278-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2002-08-08 US disclosed
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives PHARMACIA & UPJOHN COMPANY 2002-06-20 US disclosed
WO-2002024701-A2 SUBSTITUTED AZEPINO[4,5B)INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO disclosed
WO-2002024700-A2 SUBSTITUTED AZEPINO[4,5b]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO disclosed
EP-0873305-B1 AZINOOXIMETHERS, PROCESSES AND INTERMEDIATE PRODUCTS FOR MANUFACTURING SAME, AND THE USES THEREOF IN COMBATING HARMFUL FUNGI AND PESTS BASF AG (DE) 2001-03-28 EP disclosed
US-6187812-B1 FOR CONTROLLING ANIMAL PESTS OR HARMFUL FUNGI; (E,E,E)-2-METHOXYIMINO-2-(2'-(1?-METHYL, 1?-(1?'-ETHOXYIMINOETHYL))IMINOOXYMETHYL)PHENYLACETIC ACID MONOMETHYLAMIDE, FOR EXAMPLE BASF AKTIENGESELLSCHAFT (DE) 2001-02-13 US disclosed
US-6127568-A PESTICIDES, FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-10-03 US disclosed
EP-0873307-B1 CYANIMINO OXIME ETHERS, PROCESS AND INTERMEDIATES FOR THE PREPARATION AND USE THEREOF FOR THE CONTROL OF NOXIOUS FUNGI AND ANIMAL PESTS BASF AG (DE) 2000-05-31 EP disclosed
US-6066756-A FUNGICIDES, PESTICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-05-23 US disclosed
US-6063813-A FUNGICIDES AND INSECTICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-05-16 US disclosed
US-6043282-A FUNGICIDES, PESTICIDES, INSECTICIDES, NEMATOCIDES, MITICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-03-28 US disclosed
US-5981581-A FOR CONTROLLING ANIMAL PESTS OR HARMFUL FUNGI BASF AKTIENGESELLSCHAFT (DE) 1999-11-09 US disclosed
US-5977399-A Iminooxymethyleneanilides, preparation thereof and intermediates therefor, and compositions containing them BASF AKTIENGESELLSCHAFT (DE) 1999-11-02 US disclosed
US-5977146-A Pyridylcarbamates, process and intermediates for their preparation, and their use BASF AKTIENGESELLSCHAFT (DE) 1999-11-02 US disclosed
US-5965587-A PESTICIDES, FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-10-12 US disclosed
EP-0888311-A1 PYRIMIDYL PHENYL AND BENZYL ETHERS, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 1999-01-07 EP disclosed
CN-1192200-A Phenylacetic acid derivatives, process and intermediates for their preparation, and their use as pest-killing compositions and fungicides BASF AG (DE) 1998-09-02 CN disclosed
CN-1166829-A Iminooxymethylene anilides, process and intermediate products for preparing the same and pesticides containing the same BASF AG (DE) 1997-12-03 CN disclosed
CN-1161687-A Phenylacetic acid alkyl esters BASF AG (DE) 1997-10-08 CN disclosed
WO-1997033874-A1 PYRIMIDYL PHENYL AND BENZYL ETHERS, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 1997-09-18 WO disclosed
CN-1152908-A Phenyl acetic acid derivatives, process and intermediate products for their production and agents containing them BASF AG (DE) 1997-06-25 CN disclosed
CN-1143361-A Phenylacetic acid derivatives, their preparation and intermediates, and compositions containing them BASF AG (DE) 1997-02-19 CN disclosed
US-4590291-A Thrombin inhibitory new dihydroxybenzene ether derivatives BAYER AKTIENGESELLSCHAFT (DE) 1986-05-20 US disclosed
EP-0068250-A1 Dioxybenzene ether derivatives, pharmaceutical compositions containing them, process for the preparation thereof and their use BAYER AG (DE) 1983-01-05 EP disclosed
EP-0068250-A1 Dioxybenzene ether derivatives, pharmaceutical compositions containing them, process for the preparation thereof and their use BAYER AG (DE) 1983-01-05 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020107278-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E LMNA 4162/4885MAPK1 2470/4885HTT 566/4885
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 LMNA 3236/4885MAPK1 955/4885HTT 3784/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 LMNA 4136/4885MAPK1 2169/4885HTT 430/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 LMNA 3236/4885MAPK1 955/4885HTT 3784/4885
US-20160297793-A1 N-ACYLIMINO HETEROCYCLIC COMPOUNDS CBR3, C5, ALOX5 LMNA 1636/4885MAPK1 3729/4885HTT 1228/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E LMNA 4162/4885MAPK1 2470/4885HTT 566/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 LMNA 4136/4885MAPK1 2169/4885HTT 430/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.