SCHEMBL2906523

SCHEMBL2906523

COc1cccc(N(C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)S(C)(=O)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
ALDH1A1 P00352 2/20 0.37
PER2 O15055 1/20 0.37
CRY1 Q16526 1/20 0.37
CRY2 Q49AN0 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
MGLL Q99685 2/20 0.36
NFE2L2 Q16236 1/20 0.36
UTS2R Q9UKP6 2/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP3A5 P20815 1/20 0.35
CACNA2D1 P54289 1/20 0.35

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
SCHEMBL2906643 0.85 CACNA2D1 (0.39) KMT2ACYP3A4CYP3A5CACNA2D1CACNA1B
SCHEMBL1993289 0.84 MAPT (0.39) ALDH1A1KMT2ACACNA2D1CACNA1BCACNB1
SCHEMBL977322 0.83 RORC (0.37) ALDH1A1UTS2RHTTKMT2ACACNA2D1
SCHEMBL977235 0.82 SLC6A9 (0.36) UTS2RHTTKMT2AOPRD1LMNA
SCHEMBL977045 0.82 CACNA2D1 (0.41) ALDH1A1KMT2ACACNA2D1CACNA1BCACNB1
SCHEMBL2909614 0.82 CACNA2D1 (0.39) KMT2ACYP3A4CYP3A5CACNA2D1CACNA1B
SCHEMBL2912813 0.79 LMNA (0.41) ALDH1A1KMT2ACACNA2D1CACNA1BCACNB1
SCHEMBL2138820 0.79 CYP3A4 (0.55) ALDH1A1CYP3A4CYP3A5CACNA2D1CACNA1B
Drinabant SCHEMBL684143 0.79 CYP3A4 (0.36) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL3406225 0.79 SCN9A (0.41) ALDH1A1HTTKMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263722-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZETIDINE DERIVATIVES, NOVEL AZETIDINE DERIVATIVES AND PREPARATION THEREOF AVENTIS PHARMA SA (FR) 2010-08-25 EP claimed
US-20080221078-A1 Use of a CB1 Antagonist for Treating Side Effects and Negative Symptoms of Schizophrenia AVENTIS PHARMACEUTICALS INC. (US) 2008-09-11 US claimed
EP-1962834-A2 USE OF A CB1 ANTAGONIST FOR TREATING NEGATIVE SYMPTOMS OF SCHIZOPHRENIA Aventis Pharmaceuticals Inc. (US) 2008-09-03 EP claimed
WO-2007067617-A2 USE OF A CB1 ANTAGONIST FOR TREATING NEGATIVE SYMPTOMS OF SCHIZOPHRENIA AVENTIS PHARMACEUTICALS INC. (US) 2007-06-14 WO claimed
EP-1328269-B1 ASSOCIATION OF A CB1 RECEPTOR ANTAGONIST AND SIBUTRAMIN FOR TREATING OBESITY AVENTIS PHARMA SA (FR) 2004-05-26 EP claimed
JP-2003525270-A 2003-08-26 JP claimed
EP-1328269-A2 ASSOCIATION OF THE CB1 RECEPTOR ANTAGONIST AND A SIBUTRAMIN FOR TREATING OBESITY Aventis Pharma S.A. (FR) 2003-07-23 EP claimed
CN-1418192-A Pharmaceutical compositions containing azetidine derivatives novel azetidine derivatives and preparation thereof AVENTIS PHARMA SA (FR) 2003-05-14 CN claimed
EP-1263722-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZETIDINE DERIVATIVES, NOVEL AZETIDINE DERIVATIVES AND PREPARATION THEREOF Aventis Pharma S.A. (FR) 2002-12-11 EP claimed
US-20020091114-A1 Combination of a CB1 receptor antagonist and of sibutramine, the pharmaceutical compositions comprising them and their use in the treatment of obesity AVENTIS PHARMA S.A. (FR) 2002-07-11 US claimed
WO-2002028346-A2 ASSOCIATION OF THE CB1 RECEPTOR ANTAGONIST AND SIBUTRAMIN, FOR TREATING OBESITY AVENTIS PHARMA S.A. (FR) 2002-04-11 WO claimed
US-6355631-B1 TREATMENT OF PSYCHOSIS AND SCHIZOPHRENIA AVENTIS PHARMA S.A. (FR) 2002-03-12 US claimed
WO-2001064634-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZETIDINE DERIVATIVES, NOVEL AZETIDINE DERIVATIVES AND PREPARATION THEREOF AVENTIS PHARMA S.A. (FR) 2001-09-07 WO claimed
EP-1263722-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZETIDINE DERIVATIVES, NOVEL AZETIDINE DERIVATIVES AND PREPARATION THEREOF AVENTIS PHARMA SA (FR) 2010-08-25 EP disclosed
US-20080221078-A1 Use of a CB1 Antagonist for Treating Side Effects and Negative Symptoms of Schizophrenia AVENTIS PHARMACEUTICALS INC. (US) 2008-09-11 US disclosed
EP-1962834-A2 USE OF A CB1 ANTAGONIST FOR TREATING NEGATIVE SYMPTOMS OF SCHIZOPHRENIA Aventis Pharmaceuticals Inc. (US) 2008-09-03 EP disclosed
US-20020091114-A1 Combination of a CB1 receptor antagonist and of sibutramine, the pharmaceutical compositions comprising them and their use in the treatment of obesity AVENTIS PHARMA S.A. (FR) 2002-07-11 US disclosed
WO-2002028346-A2 ASSOCIATION OF THE CB1 RECEPTOR ANTAGONIST AND SIBUTRAMIN, FOR TREATING OBESITY AVENTIS PHARMA S.A. (FR) 2002-04-11 WO disclosed
US-6355631-B1 TREATMENT OF PSYCHOSIS AND SCHIZOPHRENIA AVENTIS PHARMA S.A. (FR) 2002-03-12 US disclosed
WO-2001064634-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZETIDINE DERIVATIVES, NOVEL AZETIDINE DERIVATIVES AND PREPARATION THEREOF AVENTIS PHARMA S.A. (FR) 2001-09-07 WO 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 (2 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-20020091114-A1 Combination of a CB1 receptor antagonist and of sibutramine, the pharmaceutical compositions comprising them and their use in the treatment of obesity CNR2, CNR1, GPR119 HSD17B1 1518/4885HSD17B2 1288/4885ALDH1A1 3651/4885
US-20080221078-A1 Use of a CB1 Antagonist for Treating Side Effects and Negative Symptoms of Schizophrenia CNR1, CNR2, GPR139 HSD17B1 2308/4885HSD17B2 2187/4885ALDH1A1 3949/4885

“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.