SCHEMBL535412

SCHEMBL535412

[CH2]COc1cccc(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.58
LMNA P02545 1/20 0.56
MAPK1 P28482 2/20 0.55
APP P05067 1/20 0.53
TSHR P16473 1/20 0.53
ACHE P22303 1/20 0.50
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL72418 0.83 MAPK1 (0.61) MAOBLMNAMAPK1APPTSHR
SCHEMBL9208516 0.83 TP53 (0.59) LMNAMAPK1TSHRKDM4EALDH1A1
SCHEMBL1729519 0.82 MAPK1 (0.75) MAOBLMNAMAPK1APPTSHR
SCHEMBL11306471 0.82 MAOB (0.62) MAOBLMNAMAPK1APPTSHR
SCHEMBL10903476 0.82 MAPK1 (0.59) MAOBLMNAMAPK1TSHRMTNR1A
SCHEMBL3166151 0.81 ALDH1A1 (0.58) MAOBCA1CA2CA7CA9
1,3-Dimethoxybenzene SCHEMBL901285 0.81 ACHE (0.70) MAOBLMNAACHECA1CA2
1,3-Dimethoxybenzene SCHEMBL9350 0.81 ACHE (0.70) MAOBLMNAACHECA1CA2
1-Methoxy-3-Ethoxybenzene SCHEMBL1068417 0.80 CYP3A4 (0.61) MAOBLMNAMAPK1APPTSHR
1,3-Dimethoxybenzene SCHEMBL27703685 0.79 ACHE (0.61) MAOBLMNAACHEKDM4ECA1

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 106 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6723743-B1 TREATING PATIENT SUFFERING FROM RHEUMATOID ARTHRITIS, PSORIASIS, BRONCHIAL ASTHMA, ALZHEIMER'S DISEASE, MYOCARDIAL INFARCTION OR ATHEROSCLEROSIS NEUROGEN CORPORATION 2004-04-20 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
CN-104220421-A Sulfonamide derivatives of benzylamine for the treatment of central nervous system disorders ADAMED SP ZOO 2014-12-17 CN disclosed
WO-2013074965-A1 AMINOALKYL PHENOL ETHER INHIBITORS OF INFLUENZA A VIRUS MICROBIOTIX, INC. (US) 2013-05-23 WO disclosed
EP-2591673-A1 PEST CONTROL AGENT Meiji Seika Pharma Co., Ltd. (JP) 2013-05-15 EP disclosed
US-20130102637-A1 PEST CONTROL AGENT GIFU UNIVERSITY (JP) 2013-04-25 US disclosed
US-4575555-A ANTIDEPRESSANTS MEAD JOHNSON & COMPANY (US) 1986-03-11 US disclosed
US-4487773-A ANTISEROTONINE AGENTS MEAD JOHNSON & COMPANY (US) 1984-12-11 US disclosed
US-4386091-A PSYCHOLOGICAL DISORDERS MEAD JOHNSON & COMPANY (US) 1983-05-31 US disclosed
US-3993437-A Process for the dyeing of polyamide fibers with sulphur dyestuffs CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-11-23 US 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 (5 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 MAOB 75/4885LMNA 4162/4885MAPK1 2470/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 MAOB 125/4885LMNA 4136/4885MAPK1 2169/4885
US-20130102637-A1 PEST CONTROL AGENT DDT, PIR, ITPR2 MAOB 2650/4885LMNA 1979/4885MAPK1 2448/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E MAOB 75/4885LMNA 4162/4885MAPK1 2470/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 MAOB 125/4885LMNA 4136/4885MAPK1 2169/4885

“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.