SCHEMBL3555731

SCHEMBL3555731

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.46
CCNE1 P24864 2/20 0.46
CDK2 P24941 2/20 0.46
DBF4 Q9UBU7 2/20 0.46
IKBKB O14920 3/20 0.44
LIMK1 P53667 1/20 0.43
CHRNA7 P36544 1/20 0.41
HSD11B1 P28845 1/20 0.41
CCNT1 O60563 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
CDK9 P50750 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
CNR1 P21554 4/20 0.39
ALDH1A1 P00352 4/20 0.39
CNR2 P34972 3/20 0.39

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
SCHEMBL3553404 0.93 CDC7 (0.45) CDC7CCNE1CDK2DBF4IKBKB
SCHEMBL3549304 0.88 SRD5A2 (0.45) CHRNA7HSD11B1CNR1ALDH1A1CNR2
SCHEMBL3556612 0.85 KDM4E (0.47) CDC7DBF4HSD11B1CNR1ALDH1A1
SCHEMBL3559754 0.81 SRD5A2 (0.41) CDC7CCNE1CDK2DBF4HSD11B1
SCHEMBL22901435 0.80 GRM2 (0.41) CDC7CCNE1CDK2DBF4IKBKB
SCHEMBL3556990 0.79 GABRA2 (0.45) CDC7DBF4CNR1ALDH1A1MAPT
SCHEMBL5095879 0.78 CNR1 (0.63) CNR1CNR2CYP2C9
SCHEMBL5109760 0.77 CNR1 (0.42) HSD11B1CNR1ALDH1A1CNR2NPSR1
SCHEMBL5328457 0.76 HSD11B1 (0.43) HSD11B1DPP4DPP8ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL3552134 0.75 HSD11B1 (0.42) HSD11B1DPP4DPP8ALDH1A1KDM4E

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 4 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-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 CDC7 2421/4885CCNE1 637/4885CDK2 257/4885

“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.