SCHEMBL3295083

SCHEMBL3295083

Cc1ccc(C(c2ccc(C)cc2)N2CC(C(c3ccccc3)S(C)(=O)=O)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.44
CACNA2D1 P54289 1/20 0.43
CACNA1B Q00975 1/20 0.43
CACNB1 Q02641 1/20 0.43
CACNA1C Q13936 1/20 0.43
OPRM1 P35372 4/20 0.43
OPRD1 P41143 4/20 0.43
OPRK1 P41145 3/20 0.43
OPRL1 P41146 3/20 0.43
CYP2D6 P10635 5/20 0.41
CYP3A4 P08684 4/20 0.41
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37

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
SCHEMBL1663601 0.74 ALDH1A1 (0.45) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL20133104 0.74 OPRM1 (0.54) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL3295161 0.74 POLB (0.35) CACNA2D1CACNA1BCACNB1CACNA1COPRM1
SCHEMBL3294287 0.74 POLB (0.35) CACNA2D1CACNA1BCACNB1CACNA1COPRM1
SCHEMBL3297675 0.74 POLB (0.35) CACNA2D1CACNA1BCACNB1CACNA1COPRM1
SCHEMBL3296307 0.74 CYP19A1 (0.42) SLC6A9OPRM1OPRD1OPRK1OPRL1
SCHEMBL2031016 0.72 CYP2D6 (0.49) SLC6A9OPRM1OPRD1OPRL1CYP2D6
SCHEMBL3298343 0.72 OPRM1 (0.38) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL3298640 0.72 OPRM1 (0.38) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL3296937 0.72 OPRM1 (0.38) OPRM1OPRD1OPRK1OPRL1CYP2D6

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-7741316-B2 Pharmacological uses of azetidine derivatives AVENTIS PHARMA S.A. (FR) 2010-06-22 US disclosed
EP-1263720-B1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2009-06-03 EP disclosed
US-20050130953-A1 Pharmacological uses of azetidine derivatives AVENTIS PHARMA S.A. (FR) 2005-06-16 US disclosed
US-6872717-B2 Pharmacological uses of azetidine derivatives AVENTIS PHARMA S.A. (FR) 2005-03-29 US disclosed
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ACHARD DANIEL (FR) 2003-03-20 US disclosed
EP-1263720-A1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2002-12-11 EP disclosed
US-6479479-B2 1-DIARYLMETHYL-4-ALKYL OR ALKYLSULFONYLALKYL-AZETIDINES; CANNABINOID RECEPTOR ANTAGONISTS; NERVOUS SYSTEM DISORDERS (CNS); CARDIOVASCULAR AND GLANDULAR DISORDERS; DRUG ABUSE; PSYCHOLOGICAL DISORDERS; AVENTIS PHARMA S.A. (FR) 2002-11-12 US disclosed
US-20010027193-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2001-10-04 US disclosed
WO-2001064632-A1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME 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 (3 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-20010027193-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 SLC6A9 1600/4885CACNA2D1 778/4885CACNA1B 896/4885
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 SLC6A9 1600/4885CACNA2D1 778/4885CACNA1B 896/4885
US-20050130953-A1 Pharmacological uses of azetidine derivatives CHRM2, ACHE, DRD2 SLC6A9 1499/4885CACNA2D1 1844/4885CACNA1B 343/4885

“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.