SCHEMBL3548754

SCHEMBL3548754

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.40
CNR2 P34972 3/20 0.40
SHMT1 P34896 2/20 0.37
SHMT2 P34897 1/20 0.37
PTGES O14684 2/20 0.36
HSD11B1 P28845 1/20 0.35
SRD5A2 P31213 1/20 0.35
TP53 P04637 1/20 0.35
MDM2 Q00987 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL3551713 0.83 CNR1 (0.39) CNR1CNR2HSD11B1MAPT
SCHEMBL3547208 0.83 ALDH1A1 (0.40) CNR1CNR2TP53MDM2
SCHEMBL3546576 0.82 P2RX7 (0.37) CNR1CNR2SHMT1SHMT2TP53
SCHEMBL3553263 0.82 ALDH1A1 (0.37) CNR1CNR2SHMT1SHMT2TP53
SCHEMBL3549630 0.81 HSD11B1 (0.35) CNR1CNR2SHMT1SHMT2HSD11B1
SCHEMBL3552196 0.79 HSD11B1 (0.35) CNR1CNR2SHMT1SHMT2HSD11B1
SCHEMBL3555703 0.78 ALDH1A1 (0.38) CNR1CNR2TP53MDM2MAPT
SCHEMBL3550717 0.77 MAPT (0.44) CNR1CNR2TP53MDM2MAPT
SCHEMBL5328457 0.77 HSD11B1 (0.43) HSD11B1
SCHEMBL3552068 0.76 CNR1 (0.41) CNR1CNR2TP53MDM2

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 1/4885CNR2 2/4885SHMT1 2192/4885

“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.