SCHEMBL1854908

SCHEMBL1854908

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.42
CNR2 P34972 2/20 0.42
TACR2 P21452 4/20 0.35
TACR1 P25103 4/20 0.35
HTR1A P08908 1/20 0.34
MLYCD O95822 1/20 0.33
CYP46A1 Q9Y6A2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
ORAI1 Q96D31 1/20 0.32
MAPK14 Q16539 1/20 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
SCHEMBL2159789 0.93 CNR1 (0.44) CNR1CNR2TACR2TACR1HTR1A
SCHEMBL1847450 0.92 CNR1 (0.44) CNR1CNR2TACR2TACR1HTR1A
SCHEMBL2158800 0.91 CNR1 (0.45) CNR1CNR2TACR2TACR1HTR1A
SCHEMBL1847881 0.87 CNR1 (0.41) CNR1CNR2TACR2TACR1MLYCD
SCHEMBL2159791 0.85 CNR1 (0.49) CNR1CNR2TACR2TACR1CYP46A1
SCHEMBL2159868 0.85 CNR1 (0.42) CNR1CNR2TACR2TACR1HTR1A
SCHEMBL2158240 0.84 CNR1 (0.37) CNR1CNR2HTR1AALDH1A1MAPK14
SCHEMBL1850506 0.83 CNR1 (0.49) CNR1CNR2TACR2TACR1CYP46A1
SCHEMBL1848051 0.83 CNR1 (0.45) CNR1CNR2TACR2TACR1CYP46A1
SCHEMBL2159388 0.83 CNR1 (0.44) CNR1CNR2TACR2TACR1

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 10 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-8410137-B2 Thiophene-2-carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-04-02 US 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
US-20110183960-A1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-07-28 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
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 CNR1 48/4885CNR2 46/4885TACR2 224/4885

“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.