SCHEMBL5082022

SCHEMBL5082022

CS(=O)(=O)C(=C1CN(C(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)C1)c1cc(F)cc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.37
CYP3A5 P20815 3/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
CACNA1A O00555 2/20 0.36
CACNA2D1 P54289 2/20 0.36
CACNB1 Q02641 2/20 0.36
CACNA1B Q00975 1/20 0.36
CACNA1C Q13936 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
KCNH2 Q12809 2/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 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
SCHEMBL5078309 0.89 POLB (0.37) CACNA2D1CACNB1CACNA1BCACNA1COPRM1
SCHEMBL5081532 0.87 OPRM1 (0.36) CYP3A4CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL674830 0.86 CYP2D6 (0.38) CYP3A4CYP3A5OPRM1OPRD1KCNH2
SCHEMBL3297716 0.85 CYP3A4 (0.40) CYP3A4SCN5ASCN9AOPRM1OPRD1
SCHEMBL5078931 0.85 MEN1 (0.43) SCN5ASCN9APDE2A
SCHEMBL5082053 0.84 OPRM1 (0.39) CYP3A4CACNA1ACACNA2D1CACNB1CACNA1B
SCHEMBL3297436 0.83 LMNA (0.40) CYP3A4CYP3A5OPRM1OPRD1CNR1
SCHEMBL6903343 0.82 CYP3A4 (0.31) CYP3A4CYP3A5OPRM1OPRD1
SCHEMBL7085994 0.82 CYP3A4 (0.31) CYP3A4CYP3A5OPRM1OPRD1
SCHEMBL6903888 0.82 CYP3A4 (0.31) CYP3A4CYP3A5OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107356-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) 2005-05-19 US claimed
US-6858603-B2 Acetindine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2005-02-22 US claimed
US-20040235816-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2004-11-25 US claimed
EP-1328269-B1 ASSOCIATION OF A CB1 RECEPTOR ANTAGONIST AND SIBUTRAMIN FOR TREATING OBESITY AVENTIS PHARMA SA (FR) 2004-05-26 EP claimed
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2003-08-28 US claimed
EP-1112251-B1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-05-07 EP claimed
US-6518264-B2 For treatment/prevention of psychoses, other brain disorders, and cardiovascular disorders AVENTIS PHARMA S.A. (FR) 2003-02-11 US 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
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2002-03-21 US claimed
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
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2006-11-30 US disclosed
US-20060258709-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) 2006-11-16 US disclosed
US-7105504-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) 2006-09-12 US disclosed
EP-1112251-B1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-05-07 EP disclosed
US-6518264-B2 For treatment/prevention of psychoses, other brain disorders, and cardiovascular disorders AVENTIS PHARMA S.A. (FR) 2003-02-11 US 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-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2002-03-21 US disclosed
EP-1112251-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2001-07-04 EP disclosed
WO-2000015609-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2000-03-23 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 (8 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-20040235816-A1 Azetidine derivatives, their preparation and medicaments containing them AZI2, ADRA2A, ADRA2C CYP3A4 68/4885CYP3A5 62/4885SCN5A 161/4885
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 720/4885SCN5A 503/4885
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AZI2, QDPR, ADRA2A CYP3A4 71/4885CYP3A5 46/4885SCN5A 177/4885
US-20060258709-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 720/4885SCN5A 503/4885
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 720/4885SCN5A 503/4885
US-20050107356-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 CYP3A4 2489/4885CYP3A5 2608/4885SCN5A 1660/4885
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them CYP11B2, AZI2, CYP2C19 CYP3A4 15/4885CYP3A5 75/4885SCN5A 2140/4885
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them ADRA1D, ADRB2, AZI2 CYP3A4 40/4885CYP3A5 22/4885SCN5A 294/4885

“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.