SCHEMBL5081597

SCHEMBL5081597

CS(=O)(=O)C(=C1CN([C@@H](c2ccc(Cl)cc2)c2cccs2)C1)c1cc(F)cc(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
GAA P10253 2/20 0.33
SLC6A9 P48067 1/20 0.33
LMNA P02545 5/20 0.32
MAPT P10636 3/20 0.32
TP53 P04637 1/20 0.32
CYP3A5 P20815 1/20 0.31
DRD3 P35462 2/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31

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
SCHEMBL3297420 1.00 ALOX15 (0.35) ALOX15CYP3A4CYP2D6CYP2C19HPGD
SCHEMBL5078298 1.00 ALOX15 (0.35) ALOX15CYP3A4CYP2D6CYP2C19HPGD
SCHEMBL3294241 0.90 CYP3A4 (0.38) CYP3A4CYP2D6CYP2C19HPGDOPRM1
SCHEMBL674830 0.88 CYP2D6 (0.38) CYP3A4CYP2D6CYP2C19TDP1OPRM1
SCHEMBL5078277 0.83 CNR1 (0.35) CYP3A4CYP2C19LMNACYP3A5SLC6A3
SCHEMBL5075659 0.83 CNR1 (0.35) CYP3A4CYP2C19LMNACYP3A5SLC6A3
SCHEMBL5078975 0.83 CNR1 (0.35) CYP3A4CYP2C19LMNACYP3A5SLC6A3
SCHEMBL6011807 0.82 OPRD1 (0.39) ALOX15CYP3A4OPRM1OPRD1SLC6A9
SCHEMBL5081578 0.81 CNR1 (0.41)
SCHEMBL5077603 0.81 CNR1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2006-11-30 US claimed
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-1423146-A1 COMPOSITION FOR TREATING PARKINSON'S DISEASE CONTAINING A CB1 RECEPTOR ANTAGONIST AND A PRODUCT ACTIVATING DOPAMINERGIC NEUROTRANSMISSION IN THE BRAIN Aventis Pharma S.A. (FR) 2004-06-02 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
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2003-08-28 US 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
EP-1112251-B1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-05-07 EP claimed
WO-2003018060-A1 COMPOSITION FOR TREATING PARKINSON'S DISEASE CONTAINING A CB1 RECEPTOR ANTAGONIST AND A PRODUCT ACTIVATING DOPAMINERGIC NEUROTRANSMISSION IN THE BRAIN AVENTIS PHARMA S.A. (FR) 2003-03-06 WO 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
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-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2002-03-21 US claimed
EP-1112251-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2001-07-04 EP claimed
WO-2000015609-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2000-03-23 WO 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
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 (7 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 ALOX15 1891/4885CYP3A4 68/4885CYP2D6 36/4885
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 ALOX15 1810/4885CYP3A4 1369/4885CYP2D6 1341/4885
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AZI2, QDPR, ADRA2A ALOX15 1548/4885CYP3A4 71/4885CYP2D6 38/4885
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 ALOX15 1810/4885CYP3A4 1369/4885CYP2D6 1341/4885
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 ALOX15 1004/4885CYP3A4 2489/4885CYP2D6 1786/4885
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them CYP11B2, AZI2, CYP2C19 ALOX15 2753/4885CYP3A4 15/4885CYP2D6 17/4885
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them ADRA1D, ADRB2, AZI2 ALOX15 1502/4885CYP3A4 40/4885CYP2D6 64/4885

“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.