SCHEMBL3552068

SCHEMBL3552068

Cc1c(CNC(=O)C2CCCCCC2)sc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.41
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
P2RX7 Q99572 2/20 0.37
CNR2 P34972 1/20 0.37
EPHX2 P34913 3/20 0.36
GAA P10253 1/20 0.36
HTT P42858 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
SCHEMBL2840753 0.81 HPGD (0.42) CNR1TP53MDM2P2RX7CNR2
SCHEMBL3555703 0.81 ALDH1A1 (0.38) CNR1TP53MDM2CNR2
SCHEMBL5255418 0.81 CNR1 (0.45) CNR1TP53P2RX7CNR2EPHX2
SCHEMBL3550717 0.78 MAPT (0.44) CNR1TP53MDM2CNR2EPHX2
SCHEMBL3550101 0.77 MMP2 (0.35) CNR1TP53MDM2CNR2
SCHEMBL3548754 0.76 CNR1 (0.40) CNR1TP53MDM2CNR2
SCHEMBL3546576 0.76 P2RX7 (0.37) CNR1TP53P2RX7CNR2
SCHEMBL2846311 0.75 CNR1 (0.45) CNR1CNR2EPHX2
SCHEMBL5300506 0.75 DPP4 (0.37)
SCHEMBL3551713 0.74 CNR1 (0.39) CNR1CNR2

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 claimed
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 claimed
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 claimed
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 claimed
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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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 CNR1 1/4885TP53 4711/4885MDM2 3083/4885

“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.