SCHEMBL2913005

SCHEMBL2913005

COc1ccc(S(=O)(=O)NC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.56
PDE4B Q07343 2/20 0.56
PDE4C Q08493 2/20 0.56
PDE4D Q08499 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 4/20 0.49
TP53 P04637 2/20 0.49
PKM P14618 2/20 0.49
ALOX15 P16050 1/20 0.49
HTT P42858 2/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 1/20 0.46
ADRA1A P35348 3/20 0.46
ADRA1B P35368 3/20 0.46
LMNA P02545 1/20 0.46
DRD2 P14416 2/20 0.45
ADRA1D P25100 2/20 0.45
POLB P06746 1/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL2913392 0.85 CRHBP (0.47) ALDH1A1LMNAKMT2A
SCHEMBL2909891 0.83 CTSL (0.53) SMN1; SMN2ALDH1A1TP53ADRA1AADRA1B
SCHEMBL2911443 0.82 PGR (0.42) SMN1; SMN2MAPK1TP53PKMALOX15
SCHEMBL2911793 0.81 KMT2A (0.57) ALDH1A1TP53HTTGAAHPGD
SCHEMBL2912289 0.81 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1TP53HTTGAA
SCHEMBL2914429 0.80 KMT2A (0.49) SMN1; SMN2ALDH1A1HTTDRD2KMT2A
SCHEMBL2908044 0.79 CRHBP (0.45) ALDH1A1HTTLMNADRD2KMT2A
SCHEMBL2914646 0.78 HTT (0.50) SMN1; SMN2ALDH1A1HTTGAAADRA1A
SCHEMBL2911655 0.78 KMT2A (0.39) TP53HTTLMNAKMT2A
SCHEMBL2914027 0.77 HTR1A (0.47) ADRA1AADRA1BDRD2ADRA1DKMT2A

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 32 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
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
US-7217705-B2 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) 2007-05-15 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
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
EP-1263721-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING 3-AMINO-AZETIDINE DERIVATIVES, NOVEL 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
US-20020019383-A1 Pharmaceutical compositions containing 3-aminoazetidine derivatives, novel derivatives and their preparation AVENTIS PHARMA S.A. (FR) 2002-02-14 US disclosed
WO-2001064633-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING 3-AMINO-AZETIDINE DERIVATIVES, NOVEL 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 (5 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 PDE4A 964/4885PDE4B 558/4885PDE4C 1149/4885
US-20020019383-A1 Pharmaceutical compositions containing 3-aminoazetidine derivatives, novel derivatives and their preparation HRH2, ALK, HRH1 PDE4A 2344/4885PDE4B 1647/4885PDE4C 2600/4885
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 PDE4A 964/4885PDE4B 558/4885PDE4C 1149/4885
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 PDE4A 401/4885PDE4B 333/4885PDE4C 463/4885
US-20080221078-A1 Use of a CB1 Antagonist for Treating Side Effects and Negative Symptoms of Schizophrenia CNR1, CNR2, GPR139 PDE4A 984/4885PDE4B 1029/4885PDE4C 1414/4885

“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.