SCHEMBL6011672

SCHEMBL6011672

Cc1ccccc1C(C1(O)CN(C(c2ccccc2)c2ccccc2)C1)S(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.47
OPRD1 P41143 10/20 0.47
OPRK1 P41145 10/20 0.47
OPRL1 P41146 10/20 0.47
CYP3A4 P08684 7/20 0.46
CYP2D6 P10635 6/20 0.46
ALOX15 P16050 1/20 0.46
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
USP2 O75604 2/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 1/20 0.40
CYP1A2 P05177 1/20 0.39
GPR55 Q9Y2T6 1/20 0.38

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
SCHEMBL3298008 0.86 CYP3A4 (0.52) OPRM1OPRD1OPRK1OPRL1CYP3A4
SCHEMBL6011458 0.86 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1CYP3A4
SCHEMBL6011662 0.86 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1CYP3A4
SCHEMBL6011642 0.85 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1CYP3A4
SCHEMBL6011568 0.84 CYP3A4 (0.43) OPRM1OPRD1OPRK1OPRL1CYP3A4
SCHEMBL3295348 0.83 OPRM1 (0.50) OPRM1OPRD1OPRK1OPRL1CYP3A4
SCHEMBL6011426 0.83 OPRM1 (0.50) OPRM1OPRD1OPRK1OPRL1CYP3A4
SCHEMBL6011548 0.83 CYP3A4 (0.43) OPRM1OPRD1OPRK1OPRL1CYP3A4
SCHEMBL6011589 0.83 CACNA2D1 (0.44) OPRM1OPRD1OPRK1OPRL1CYP3A4
SCHEMBL6011903 0.81 OPRM1 (0.54) OPRM1OPRD1OPRK1OPRL1CYP3A4

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 OPRM1 61/4885OPRD1 13/4885OPRK1 79/4885
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AZI2, QDPR, ADRA2A OPRM1 102/4885OPRD1 18/4885OPRK1 105/4885
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them CYP11B2, AZI2, CYP2C19 OPRM1 55/4885OPRD1 26/4885OPRK1 32/4885
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them ADRA1D, ADRB2, AZI2 OPRM1 166/4885OPRD1 13/4885OPRK1 103/4885

“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.