SCHEMBL1850887

SCHEMBL1850887

COc1ccc(-c2cc(C(=O)N3CCC(C(N)=O)(c4ccccc4)CC3)sc2-c2ccccc2Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 12/20 0.48
TACR1 P25103 12/20 0.48
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
LYPLA2 O95372 1/20 0.41
RAB9A P51151 1/20 0.41
TACR3 P29371 1/20 0.40
HRH1 P35367 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40

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
SCHEMBL2158511 0.93 CNR1 (0.49) TACR2TACR1CNR1CNR2TACR3
SCHEMBL2159375 0.90 CNR1 (0.41) TACR2TACR1CNR1CNR2TACR3
SCHEMBL1850677 0.89 CNR1 (0.44) TACR2TACR1CNR1CNR2RAB9A
SCHEMBL1846307 0.88 CNR1 (0.40) TACR2TACR1CNR1CNR2TACR3
SCHEMBL2159003 0.88 CNR1 (0.39) TACR2TACR1CNR1CNR2TACR3
SCHEMBL1855702 0.87 CNR1 (0.41) TACR2TACR1CNR1CNR2RAB9A
SCHEMBL12396817 0.87 CNR1 (0.39) TACR2TACR1CNR1CNR2TACR3
SCHEMBL1848297 0.86 CNR1 (0.49) TACR2TACR1CNR1CNR2TACR3
SCHEMBL2158437 0.83 CNR1 (0.36) TACR2TACR1CNR1CNR2TACR3
SCHEMBL2159761 0.83 CNR1 (0.46) TACR2TACR1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2324015-B1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2013-07-03 EP disclosed
US-8410137-B2 Thiophene-2-carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-04-02 US disclosed
US-20110183960-A1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-07-28 US disclosed
EP-2324015-A2 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-aventis (FR) 2011-05-25 EP disclosed
WO-2010012964-A2 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-02-04 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-20110183960-A1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF NR3C2, NR1H3, NR1H2 TACR2 224/4885TACR1 205/4885CNR1 48/4885

“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.