SCHEMBL407540

SCHEMBL407540

NCC1COc2ccccc2O1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.60
ADRA1A P35348 2/20 0.60
HTR1A P08908 1/20 0.60
DRD1 P21728 1/20 0.60
TBXA2R P21731 1/20 0.60
SLC6A2 P23975 1/20 0.60
DRD3 P35462 1/20 0.60
CA2 P00918 4/20 0.57
HTT P42858 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
ADRA1D P25100 1/20 0.56
ADRA1B P35368 1/20 0.56
SCN1A P35498 1/20 0.56
SCN2A Q99250 1/20 0.56
SCN3A Q9NY46 1/20 0.56
ALOX5 P09917 1/20 0.55
POLB P06746 1/20 0.53
ESR2 Q92731 1/20 0.53
MTNR1A P48039 1/20 0.53

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
SCHEMBL8186813 1.00 ADRA2A (0.60) ADRA2AADRA1AHTR1ADRD1TBXA2R
SCHEMBL439092 1.00 ADRA2A (0.60) ADRA2AADRA1AHTR1ADRD1TBXA2R
SCHEMBL31407451 1.00 ADRA2A (0.60) ADRA2AADRA1AHTR1ADRD1TBXA2R
SCHEMBL29841237 1.00 ADRA2A (0.60) ADRA2AADRA1AHTR1ADRD1TBXA2R
Hydrochloric Acid SCHEMBL783118 0.98 ADRA2A (0.58) ADRA2AADRA1AHTR1ADRD1TBXA2R
Bromide SCHEMBL11489853 0.98 ADRA2A (0.58) ADRA2AADRA1AHTR1ADRD1TBXA2R
SCHEMBL406531 0.85 HTT (0.61) ADRA2AADRA1AHTR1ADRD1TBXA2R
Hydrochloric Acid SCHEMBL8179101 0.83 HTT (0.59) ADRA2AADRA1AHTR1ADRD1TBXA2R
SCHEMBL568115 0.80 ADRA2A (0.60) ADRA2AADRA1AHTR1ADRD1TBXA2R
SCHEMBL11484814 0.80 ADRA2A (0.56) ADRA2AADRA1AHTR1ADRD1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557796-B2 Substituted 1-oxa-2,8-diaza-spiro [4,5] dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2013-10-15 US claimed
CN-102503929-A Synthesis method for guanoxan sulfate SHANGHAI MODERN HASEN SHANGQIU PHARMACEUTICAL CO LTD 2012-06-20 CN claimed
US-20120071539-A1 COMPOUNDS AND METHODS FOR MODULATING THE SILENCING OF A POLYNUCLEOTIDE OF INTEREST EMORY UNIVERSITY (US) 2012-03-22 US claimed
US-7829568-B2 Substituted 5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylamine compounds and their use for producing drugs GRUENENTHAL GMBH (DE) 2010-11-09 US claimed
US-20100029654-A1 CARDIOVASCULAR COMPOSITIONS AND USE OF THE SAME FOR THE TREATMENT OF ALZHEIMER'S DISEASE MOUNT SINAI SCHOOL OF MEDICINE 2010-02-04 US claimed
EP-1869038-B1 SUBSTITUTED 5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDIN-2-YLAMINE COMPOUNDS AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-07-08 EP claimed
EP-2007385-A2 CARDIOVASCULAR COMPOSITION AND USE THE SAME FOR THE TREATMENT OF ALZHEIMERS DISEASE Mount Sinai School of Medicine (US) 2008-12-31 EP claimed
US-20080300256-A1 Substituted 5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-ylamine Compounds and Their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-12-04 US claimed
EP-1619183-B1 1-amido-3-(2-hydroxyphenoxy)-2-propanol derivatives and a process for preparing 2-amidomethyl-1, 4-benzodioxane derivatives DAISO CO LTD (JP) 2008-10-01 EP claimed
US-7419986-B2 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2008-09-02 US claimed
US-20040132714-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH 2004-07-08 US claimed
WO-2004024730-A1 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2004-03-25 WO claimed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US claimed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO claimed
EP-0587625-B1 N-ARYLALKYLDERIVATIVES OF 2-AMINOMETHYL-2,3-DIHYDRO-1,4-BENZODIOXINE AND THE PROCESS OF PREPARATION THEREOF VUFB AS (CZ) 1997-04-02 EP claimed
US-5424456-A N-arylalkylderivatives of 2-aminomethyl-2,3-dihydro-1,4-benzodioxine and the process of preparation thereof VYZKUMNY USTAV PRO FARMACII A BIOCHEMII S.P. (CS) 1995-06-13 US claimed
EP-0587625-A1 N-ARYLALKYLDERIVATIVES OF 2-AMINOMETHYL-2,3-DIHYDRO-1,4-BENZODIOXINE AND THE PROCESS OF PREPARATION THEREOF. VYZK USTAV FARM BIOCHEM SP (CS) 1994-03-23 EP claimed
WO-1992021671-A1 N-ARYLALKYLDERIVATIVES OF 2-AMINOMETHYL-2,3-DIHYDRO-1,4-BENZODIOXINE AND THE PROCESS OF PREPARATION THEREOF VYZKUMNY USTAV PRO FARMACII A BIOCHEMII, S.P. (CS) 1992-12-10 WO claimed
CN-1019390-B GLUTARIMIDE ANTIANXIETY AND ARTIHYPERTENSIVE AGENTS MERRELL DOW PHARMA (US) 1992-12-09 CN claimed
CN-85106560-A The preparation of glutarimide anxiety and antihypertensive drug 1987-03-18 CN claimed

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

For each of this compound's patents that has machine-readable text (4 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-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A ADRA2A 4149/4885ADRA1A 2818/4885HTR1A 3283/4885
US-20080300256-A1 Substituted 5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-ylamine Compounds and Their Use for Producing Drugs CYP3A7, CYP3A5, CYP2D6 ADRA2A 32/4885ADRA1A 39/4885HTR1A 33/4885
US-20120071539-A1 COMPOUNDS AND METHODS FOR MODULATING THE SILENCING OF A POLYNUCLEOTIDE OF INTEREST SNRPE, NSUN2, SNRPA ADRA2A 4426/4885ADRA1A 4502/4885HTR1A 4274/4885
US-20040132714-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CYP19A1, CRH, CYP17A1 ADRA2A 311/4885ADRA1A 182/4885HTR1A 64/4885

“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.