SCHEMBL5099240

SCHEMBL5099240

CC(=O)C1(c2ccccc2)CCN(C(=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)s2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.46
CNR1 P21554 9/20 0.46
CNR2 P34972 7/20 0.46
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CYP46A1 Q9Y6A2 2/20 0.40
MAPT P10636 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
TACR2 P21452 1/20 0.37
TACR3 P29371 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 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
SCHEMBL5099220 0.94 TACR1 (0.47) TACR1CNR1CNR2CA12CA1
SCHEMBL2159791 0.86 CNR1 (0.49) TACR1CNR1CNR2CYP46A1TACR2
SCHEMBL1850506 0.86 CNR1 (0.49) TACR1CNR1CNR2CYP46A1TACR2
SCHEMBL2158511 0.85 CNR1 (0.49) TACR1CNR1CNR2TACR2TACR3
SCHEMBL15063077 0.84 CNR1 (0.47) TACR1CNR1CNR2CYP46A1TACR2
SCHEMBL2159761 0.82 CNR1 (0.46) TACR1CNR1CNR2CYP46A1TACR2
SCHEMBL2158800 0.82 CNR1 (0.45) TACR1CNR1CNR2CYP46A1TACR2
SCHEMBL1848051 0.81 CNR1 (0.45) TACR1CNR1CNR2CYP46A1TACR2
SCHEMBL2159789 0.80 CNR1 (0.44) TACR1CNR1CNR2CYP46A1TACR2
SCHEMBL2158449 0.80 CNR1 (0.44) TACR1CNR1CNR2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462631-B2 Thiophene-2-carboxamide derivatives, preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2008-12-09 US claimed
US-20060264470-A1 Thiophene-2-carboxamide derivatives, preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2006-11-23 US claimed
US-7462631-B2 Thiophene-2-carboxamide derivatives, preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2008-12-09 US 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-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 (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-20060264470-A1 Thiophene-2-carboxamide derivatives, preparation and therapeutic application thereof CNR1, CNR2, TPMT TACR1 258/4885CNR1 1/4885CNR2 2/4885

“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.