SCHEMBL2134134

SCHEMBL2134134

CS(=O)(=O)N(c1ccc2ncccc2c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.40
CYP3A5 P20815 4/20 0.40
OPRD1 P41143 2/20 0.40
DOT1L Q8TEK3 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
MC4R P32245 1/20 0.35
MCHR1 Q99705 1/20 0.35
LMNA P02545 2/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MET P08581 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
Hydrochloric Acid SCHEMBL3562449 0.99 CYP3A4 (0.39) CYP3A4CYP3A5OPRD1DOT1LSMN1; SMN2
SCHEMBL2138820 0.81 CYP3A4 (0.55) CYP3A4CYP3A5KDM4EALDH1A1
SCHEMBL2909512 0.80 CYP3A4 (0.40) CYP3A4CYP3A5SMN1; SMN2LMNAHTR7
SCHEMBL4711968 0.78 CYP3A4 (0.42) CYP3A4CYP3A5SMN1; SMN2LMNANPSR1
SCHEMBL2906643 0.78 CACNA2D1 (0.39) CYP3A4CYP3A5LMNAMAPTTSHR
SCHEMBL1990504 0.77 FFAR2 (0.39) SMN1; SMN2LMNAMAPTTSHR
Drinabant SCHEMBL684143 0.76 CYP3A4 (0.36) CYP3A4CYP3A5OPRD1OPRM1ALDH1A1
SCHEMBL2906523 0.76 HSD17B1 (0.40) CYP3A4CYP3A5OPRD1LMNAOPRM1
SCHEMBL2905664 0.76 CYP3A4 (0.54) CYP3A4CYP3A5
SCHEMBL2906358 0.76 CYP3A4 (0.54) CYP3A4CYP3A5

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 48 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-7687493-B2 Product, method and intermediates for the preparation of azetidine derivatives AVENTIS PHARMA SA (FR) 2010-03-30 US claimed
US-20070270463-A1 NOVEL PRODUCT, METHOD AND INTERMEDIATES FOR THE PREPARATION OF AZETIDINE DERIVATIVES SANOFI-AVENTIS (FR) 2007-11-22 US claimed
EP-1805167-A2 NOVEL PRODUCT, METHOD AND INTERMEDIATES FOR THE PREPARATION OF AZETIDINE DERIVATIVES Aventis Pharma S.A. (FR) 2007-07-11 EP claimed
WO-2006040465-A2 NOVEL PRODUCT, METHOD AND INTERMEDIATES FOR THE PREPARATION OF AZETIDINE DERIVATIVES AVENTIS PHARMA S.A. (FR) 2006-04-20 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
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
US-7687493-B2 Product, method and intermediates for the preparation of azetidine derivatives AVENTIS PHARMA SA (FR) 2010-03-30 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-20070270463-A1 NOVEL PRODUCT, METHOD AND INTERMEDIATES FOR THE PREPARATION OF AZETIDINE DERIVATIVES QDPR, AZI2, NISCH CYP3A4 85/4885CYP3A5 154/4885OPRD1 525/4885
US-20110053903-A1 PHARMACEUTICAL COMPOSITIONS BASED ON AZETIDINE DERIVATIVES ABCG2, CYP2C19, ABCC9 CYP3A4 364/4885CYP3A5 119/4885OPRD1 843/4885
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 720/4885OPRD1 54/4885

“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.