SCHEMBL2913392

SCHEMBL2913392

COc1ccc(S(=O)(=O)NC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
MMP7 P09237 1/20 0.45
MMP13 P45452 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
NAAA Q02083 1/20 0.43
PPIA P62937 1/20 0.43
LMNA P02545 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL2912289 0.86 ALDH1A1 (0.49) CRHBPCRHR2ALDH1A1MEN1KMT2A
SCHEMBL2913005 0.85 PDE4A (0.56) ALDH1A1KMT2ALMNA
SCHEMBL2908044 0.84 CRHBP (0.45) CRHBPCRHR2ALDH1A1MEN1KMT2A
SCHEMBL2914646 0.84 HTT (0.50) ALDH1A1LMNAUCHL1USP30HTR1A
SCHEMBL2909891 0.83 CTSL (0.53) ALDH1A1MEN1KMT2A
SCHEMBL2911443 0.81 PGR (0.42) MMP2KMT2ALMNACA12CA2
SCHEMBL2908960 0.81 IDO1 (0.53) MMP1MMP2MMP13MEN1KMT2A
SCHEMBL2914429 0.80 KMT2A (0.49) ALDH1A1KMT2AHTR1AHTR7
SCHEMBL2911793 0.80 KMT2A (0.57) ALDH1A1KMT2ALMNAHTR1AHTR7
SCHEMBL2911655 0.78 KMT2A (0.39) CRHBPCRHR2KMT2ALMNAUCHL1

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-1263721-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING 3-AMINO-AZETIDINE DERIVATIVES, NOVEL 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
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
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
EP-1263721-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING 3-AMINO-AZETIDINE DERIVATIVES, NOVEL 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-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-20070197654-A1 COMBINATION OF A CB1 RECEPTOR ANTAGONIST AND OF A PRODUCT WHICH ACTIVATES DOPAMINERGIC NEUROTRANSMISSION IN THE BRAIN, THE PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE IN THE TREATMENT OF PARKINSON'S DISEASE AVENTIS PHARMA S.A. (FR) 2007-08-23 US disclosed
WO-2007067617-A2 USE OF A CB1 ANTAGONIST FOR TREATING NEGATIVE SYMPTOMS OF SCHIZOPHRENIA AVENTIS PHARMACEUTICALS INC. (US) 2007-06-14 WO disclosed
US-20030119810-A1 Pharmaceutical compositions containing 3-aminoazetidine derivatives, novel derivatives and their preparation AVENTIS PHARMA S.A. (FR) 2003-06-26 US disclosed
US-6566356-B2 3-amido or 3-sulfonylamino azetidine compounds and their preparation; high affinity for cannabinoid receptor CB1 type, useful in treating central nervous system, immune, gastrointestinal or cardiovascular disorders, drug abuse AVENTIS PHARMA S.A. (FR) 2003-05-20 US disclosed
WO-2003020314-A1 COMPOSITIONS FOR THE TREATMENT OF PARKINSON'S DISEASE CONTAINING A CB1 RECEPTOR ANTAGONIST AND A PRODUCT THAT ACTIVATES DOPAMINERGIC NEUROTRANSMISSION IN THE BRAIN AVENTIS PHARMA S.A. (FR) 2003-03-13 WO 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-20020019383-A1 Pharmaceutical compositions containing 3-aminoazetidine derivatives, novel derivatives and their preparation AVENTIS PHARMA S.A. (FR) 2002-02-14 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 (6 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 CRHBP 283/4885CRHR2 67/4885ALDH1A1 3651/4885
US-20020019383-A1 Pharmaceutical compositions containing 3-aminoazetidine derivatives, novel derivatives and their preparation HRH2, ALK, HRH1 CRHBP 4337/4885CRHR2 444/4885ALDH1A1 1211/4885
US-20030119810-A1 Pharmaceutical compositions containing 3-aminoazetidine derivatives, novel derivatives and their preparation ALK, HRH2, HRH1 CRHBP 3920/4885CRHR2 219/4885ALDH1A1 1049/4885
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 CRHBP 283/4885CRHR2 67/4885ALDH1A1 3651/4885
US-20070197654-A1 COMBINATION OF A CB1 RECEPTOR ANTAGONIST AND OF A PRODUCT WHICH ACTIVATES DOPAMINERGIC NEUROTRANSMISSION IN THE BRAIN, THE PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE IN THE TREATMENT OF PARKINSON'S DISEASE CNR1, CNR2, GPR18 CRHBP 839/4885CRHR2 205/4885ALDH1A1 3094/4885
US-20080221078-A1 Use of a CB1 Antagonist for Treating Side Effects and Negative Symptoms of Schizophrenia CNR1, CNR2, GPR139 CRHBP 255/4885CRHR2 37/4885ALDH1A1 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.