SCHEMBL3554895

SCHEMBL3554895

CC(O)C(=C(Cl)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
NPC1 O15118 2/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
ALDH1A1 P00352 4/20 0.38
GAA P10253 1/20 0.38
GABRA1 P14867 3/20 0.38
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 0.38
GABRB1 P18505 2/20 0.38
GABRB2 P47870 2/20 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
SCHEMBL3554893 1.00 SRD5A2 (0.44) SRD5A2MEN1KMT2ARAB9AMAPT
SCHEMBL3553726 0.92 SRD5A2 (0.41) SRD5A2MEN1KMT2ARAB9AMAPT
SCHEMBL3553728 0.92 SRD5A2 (0.41) SRD5A2MEN1KMT2ARAB9AMAPT
SCHEMBL3550385 0.71 SRD5A2 (0.51) SRD5A2MEN1KMT2ARAB9AMAPT
SCHEMBL3550383 0.71 SRD5A2 (0.51) SRD5A2MEN1KMT2ARAB9AMAPT
SCHEMBL2846425 0.70 SRD5A2 (0.50) SRD5A2MEN1KMT2ARAB9AMAPT
SCHEMBL2846423 0.70 SRD5A2 (0.50) SRD5A2MEN1KMT2ARAB9AMAPT
SCHEMBL9590622 0.70 MEN1 (0.55) SRD5A2MEN1KMT2ARAB9AMAPT
SCHEMBL3552163 0.67 SRD5A2 (0.47) SRD5A2MEN1KMT2ARAB9AMAPT
SCHEMBL3552164 0.67 SRD5A2 (0.47) SRD5A2MEN1KMT2ARAB9AMAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674821-B2 N-[(4,5-diphenyl-3-alkyl-2-thienyl)methyl]amine [amide, sulfonamide, carbamate and urea) derivatives as cannabinoid CB1 receptor antagonists SANOFI-AVENTIS (FR) 2010-03-09 US disclosed
US-7462631-B2 Thiophene-2-carboxamide derivatives, preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2008-12-09 US disclosed
US-20070270470-A1 N-[(4,5-DIPHENYL-3-ALKYL-2-THIENYL)METHYL]AMINE [AMIDE, SULFONAMIDE, CARBAMATE AND UREA) DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2007-11-22 US disclosed
EP-1833812-A1 N-[(4, 5-DIPHENYL-3-ALKYL-2-THIENYL) METHYL]AMINE (AMIDE, SULFONAMIDE, CARBAMATE AND UREA) DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2007-09-19 EP disclosed
US-20060264470-A1 Thiophene-2-carboxamide derivatives, preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2006-11-23 US disclosed
EP-1678159-A2 THIOPHENE-2-CARBOXAMIDE DERIVATIVES AND USE THEREOF AS CANNABINOID CB-1 RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2006-07-12 EP disclosed
WO-2006070106-A1 N-[(4, 5-DIPHENYL-3-ALKYL-2-THIENYL) METHYL] AMINE (AMIDE, SULFONAMIDE, CARBAMATE AND UREA) DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2006-07-06 WO disclosed
WO-2005035488-A2 THIOPHENE-2-CARBOXAMIDE DERIVATIVES AND USE THEREOF AS CANNABINOID CB-1 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2005-04-21 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 (2 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-20060264470-A1 Thiophene-2-carboxamide derivatives, preparation and therapeutic application thereof CNR1, CNR2, TPMT SRD5A2 2053/4885MEN1 1947/4885KMT2A 1597/4885
US-20070270470-A1 N-[(4,5-DIPHENYL-3-ALKYL-2-THIENYL)METHYL]AMINE [AMIDE, SULFONAMIDE, CARBAMATE AND UREA) DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS CNR1, CNR2, UTS2R SRD5A2 2122/4885MEN1 3821/4885KMT2A 817/4885

“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.