SCHEMBL3550101

SCHEMBL3550101

CCCCC(C)C(=O)NCc1sc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)cc2)c1C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
CNR1 P21554 9/20 0.35
TP53 P04637 2/20 0.33
MDM2 Q00987 2/20 0.33
ADCY6 O43306 1/20 0.33
ADCY3 O60266 1/20 0.33
ADCY9 O60503 1/20 0.33
ADCY5 O95622 1/20 0.33
ADCY8 P40145 1/20 0.33
GCGR P47871 1/20 0.33
ADCY7 P51828 1/20 0.33
ADCY2 Q08462 1/20 0.33
ADCY1 Q08828 1/20 0.33
ADCY4 Q8NFM4 1/20 0.33
SHMT1 P34896 1/20 0.33
SHMT2 P34897 1/20 0.33
CNR2 P34972 2/20 0.32

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
SCHEMBL3555703 0.87 ALDH1A1 (0.38) CNR1TP53MDM2GCGRCNR2
SCHEMBL3553263 0.85 ALDH1A1 (0.37) CNR1TP53MDM2SHMT1SHMT2
SCHEMBL2850853 0.83 MMP2 (0.38) MMP2MMP3CNR1ADCY6ADCY3
SCHEMBL3547208 0.81 ALDH1A1 (0.40) CNR1TP53MDM2GCGRCNR2
SCHEMBL3550717 0.78 MAPT (0.44) CNR1TP53MDM2GCGRCNR2
SCHEMBL2846413 0.77 CNR1 (0.42) MMP2MMP3CNR1ADCY6ADCY3
SCHEMBL3552068 0.77 CNR1 (0.41) CNR1TP53MDM2CNR2
SCHEMBL3551713 0.75 CNR1 (0.39) CNR1CNR2
SCHEMBL3548754 0.75 CNR1 (0.40) CNR1TP53MDM2SHMT1SHMT2
SCHEMBL5300506 0.74 DPP4 (0.37)

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 MMP2 4789/4885MMP3 4715/4885CNR1 1/4885

“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.