SCHEMBL6011589

SCHEMBL6011589

CS(=O)(=O)C(c1cccc(Cl)c1Cl)C1(O)CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 6/20 0.44
CACNA1B Q00975 6/20 0.44
CACNB1 Q02641 6/20 0.44
CACNA1G O43497 2/20 0.44
CYP3A4 P08684 6/20 0.43
CYP2D6 P10635 5/20 0.43
ALOX15 P16050 1/20 0.43
CACNA1C Q13936 2/20 0.41
OPRM1 P35372 5/20 0.41
OPRD1 P41143 5/20 0.41
OPRK1 P41145 5/20 0.41
OPRL1 P41146 5/20 0.41
USP2 O75604 2/20 0.39
CYP2C9 P11712 2/20 0.39
TSHR P16473 2/20 0.37
CYP2C19 P33261 2/20 0.37
MAPK1 P28482 1/20 0.37
CNR1 P21554 1/20 0.37
CYP1A2 P05177 1/20 0.37
IDO1 P14902 1/20 0.36

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
SCHEMBL6011662 0.92 OPRM1 (0.46) CACNA2D1CACNA1BCACNB1CACNA1GCYP3A4
SCHEMBL6011672 0.83 OPRM1 (0.47) CYP3A4CYP2D6ALOX15OPRM1OPRD1
SCHEMBL6011831 0.83 CNR1 (0.46) CACNA2D1CACNA1BCACNB1CACNA1GCYP3A4
SCHEMBL6011802 0.83 CYP3A4 (0.42) CACNA2D1CACNA1BCACNB1CACNA1GCYP3A4
SCHEMBL6011568 0.82 CYP3A4 (0.43) CYP3A4CYP2D6ALOX15OPRM1OPRD1
SCHEMBL3298008 0.82 CYP3A4 (0.52) CYP3A4CYP2D6ALOX15OPRM1OPRD1
SCHEMBL6011458 0.82 OPRM1 (0.46) CYP3A4CYP2D6ALOX15OPRM1OPRD1
SCHEMBL6011548 0.81 CYP3A4 (0.43) CYP3A4CYP2D6ALOX15OPRM1OPRD1
SCHEMBL6011642 0.81 OPRM1 (0.49) CYP3A4CYP2D6ALOX15OPRM1OPRD1
SCHEMBL6011523 0.81 OPRM1 (0.53) CACNA2D1CACNA1BCACNB1CACNA1GCYP3A4

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 9 patents. 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 disclosed
US-6858603-B2 Acetindine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2005-02-22 US disclosed
US-20040235816-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2004-11-25 US disclosed
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2003-08-28 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-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 (4 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 CACNA2D1 176/4885CACNA1B 1149/4885CACNB1 1919/4885
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AZI2, QDPR, ADRA2A CACNA2D1 230/4885CACNA1B 1375/4885CACNB1 2345/4885
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them CYP11B2, AZI2, CYP2C19 CACNA2D1 782/4885CACNA1B 2014/4885CACNB1 2174/4885
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them ADRA1D, ADRB2, AZI2 CACNA2D1 122/4885CACNA1B 1210/4885CACNB1 1172/4885

“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.