SCHEMBL5099220

SCHEMBL5099220

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

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.47
CNR1 P21554 8/20 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
MAPT P10636 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
CYP46A1 Q9Y6A2 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL5099240 0.94 TACR1 (0.46) TACR1CNR1CNR2CA12CA1
SCHEMBL1848626 0.86 CNR1 (0.50) TACR1CNR1CNR2TP53MDM2
SCHEMBL1848297 0.85 CNR1 (0.49) TACR1CNR1CNR2
SCHEMBL5703250 0.83 CNR1 (0.38) TACR1CNR1CNR2MAPTPTGDR2
SCHEMBL2158648 0.81 CNR1 (0.46) TACR1CNR1CNR2
SCHEMBL1259435 0.81 TACR1 (0.55) TACR1CNR1CNR2CA12CA1
SCHEMBL1849351 0.80 CNR1 (0.45) TACR1CNR1CNR2
SCHEMBL1848918 0.80 CNR1 (0.45) TACR1CNR1CNR2
SCHEMBL2159791 0.80 CNR1 (0.49) TACR1CNR1CNR2CYP46A1
SCHEMBL1857735 0.80 CNR1 (0.44) TACR1CNR1CNR2

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.