SCHEMBL3303510

SCHEMBL3303510

Cc1ccc(C(c2ccc(C)cc2)N2CC(=Cc3ccccc3S(C)(=O)=O)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNB1 Q02641 1/20 0.39
CACNA1C Q13936 1/20 0.39
OPRD1 P41143 4/20 0.39
OPRM1 P35372 4/20 0.39
OPRK1 P41145 3/20 0.39
OPRL1 P41146 3/20 0.39
CYP2D6 P10635 5/20 0.36
CYP3A4 P08684 5/20 0.36
ALOX15 P16050 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A9 P48067 1/20 0.35
MAOA P21397 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2C19 P33261 3/20 0.33
TSHR P16473 2/20 0.33
CYP2C9 P11712 2/20 0.33

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
SCHEMBL7641464 0.92 CYP2D6 (0.43) OPRD1OPRM1OPRK1OPRL1CYP2D6
SCHEMBL3297248 0.69 CACNA2D1 (0.45) CACNA2D1CACNA1BCACNB1CACNA1COPRD1
SCHEMBL6011758 0.68 OPRD1 (0.44) CACNA2D1CACNA1BCACNB1CACNA1COPRD1
SCHEMBL1742214 0.65 OPRM1 (0.46) OPRD1OPRM1OPRK1OPRL1CYP2D6
SCHEMBL3295083 0.65 SLC6A9 (0.44) CACNA2D1CACNA1BCACNB1CACNA1COPRD1
SCHEMBL6011426 0.63 OPRM1 (0.50) CACNA2D1CACNA1BCACNB1CACNA1COPRD1
SCHEMBL3295348 0.63 OPRM1 (0.50) CACNA2D1CACNA1BCACNB1CACNA1COPRD1
SCHEMBL4826291 0.62 OPRM1 (0.47) OPRD1OPRM1OPRK1OPRL1CYP2D6
SCHEMBL536001 0.62 LMNA (0.52) MEN1KMT2AALDH1A1CYP2C19TSHR
SCHEMBL4047457 0.62 ALDH1A1 (0.59) CACNA2D1CACNA1BCACNB1CACNA1COPRD1

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 6 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
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
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

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 CACNA2D1 778/4885CACNA1B 896/4885CACNB1 1408/4885
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 CACNA2D1 778/4885CACNA1B 896/4885CACNB1 1408/4885
US-20050130953-A1 Pharmacological uses of azetidine derivatives CHRM2, ACHE, DRD2 CACNA2D1 1844/4885CACNA1B 343/4885CACNB1 1316/4885

“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.