SCHEMBL2138189

SCHEMBL2138189

CS(=O)(=O)N(c1cccc(Cl)n1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.39
CYP3A5 P20815 4/20 0.39
CHRM2 P08172 2/20 0.35
HTR1A P08908 2/20 0.35
ADRA2A P08913 2/20 0.35
CHRM1 P11229 2/20 0.35
DRD1 P21728 2/20 0.35
TBXA2R P21731 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
ADRA1A P35348 2/20 0.35
DRD3 P35462 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KCNH2 Q12809 2/20 0.35
BCL2 P10415 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP2D6 P10635 3/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL2914073 0.87 CYP3A4 (0.37) CYP3A4CYP3A5CHRM2HTR1AADRA2A
SCHEMBL2906510 0.78 MAPT (0.38) CYP3A4CYP3A5CHRM2HTR1AADRA2A
SCHEMBL2138820 0.77 CYP3A4 (0.55) CYP3A4CYP3A5ALDH1A1CACNA2D1CACNA1B
SCHEMBL2906643 0.76 CACNA2D1 (0.39) CYP3A4CYP3A5CHRM2HTR1AADRA2A
SCHEMBL2906687 0.76 CYP3A4 (0.44) CYP3A4CYP3A5CYP2D6OPRM1
SCHEMBL2906523 0.75 HSD17B1 (0.40) CYP3A4CYP3A5ALDH1A1CACNA2D1CACNA1B
SCHEMBL4711968 0.75 CYP3A4 (0.42) CYP3A4CYP3A5CHRM2HTR1AADRA2A
SCHEMBL2134134 0.75 CYP3A4 (0.40) CYP3A4CYP3A5ALDH1A1CYP2D6TSHR
SCHEMBL2909512 0.75 CYP3A4 (0.40) CYP3A4CYP3A5HTR1AALDH1A1TSHR
Drinabant SCHEMBL684143 0.74 CYP3A4 (0.36) CYP3A4CYP3A5CHRM2HTR1AADRA2A

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 34 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
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
US-20110053903-A1 PHARMACEUTICAL COMPOSITIONS BASED ON AZETIDINE DERIVATIVES AVENTIS PHARMA SA (FR) 2011-03-03 US disclosed
EP-1263722-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZETIDINE DERIVATIVES, NOVEL AZETIDINE DERIVATIVES AND PREPARATION THEREOF AVENTIS PHARMA SA (FR) 2010-08-25 EP disclosed
EP-1458413-B1 PHARMACEUTICAL COMPOSITIONS BASED ON AZETIDINE DERIVATIVES AVENTIS PHARMA SA (FR) 2009-07-22 EP disclosed
US-20080058381-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) 2008-03-06 US disclosed
US-7148258-B2 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) 2006-12-12 US disclosed
EP-1263722-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZETIDINE DERIVATIVES, NOVEL AZETIDINE DERIVATIVES AND PREPARATION THEREOF Aventis Pharma S.A. (FR) 2002-12-11 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 (3 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-20080058381-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 CYP3A4 1369/4885CYP3A5 720/4885CHRM2 298/4885
US-20110053903-A1 PHARMACEUTICAL COMPOSITIONS BASED ON AZETIDINE DERIVATIVES ABCG2, CYP2C19, ABCC9 CYP3A4 364/4885CYP3A5 119/4885CHRM2 335/4885
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 CYP3A4 1369/4885CYP3A5 720/4885CHRM2 298/4885

“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.