SCHEMBL2159649

SCHEMBL2159649

NC(=O)C1(NCc2ccc(F)cc2)CCN(C(=O)c2cc(-c3ccc(OCCCO)cc3)c(-c3ccccc3Cl)s2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.40
MAPK14 Q16539 1/20 0.37
HTR1A P08908 5/20 0.37
ADAMTS7 Q9UKP4 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
RIPK1 Q13546 3/20 0.35
BACE1 P56817 3/20 0.35
KCNA5 P22460 1/20 0.34
CTSD P07339 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
ADRA1A P35348 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
HTR7 P34969 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL2158965 0.97 CNR1 (0.41) CNR1MAPK14HTR1AADAMTS7ADAMTS5
SCHEMBL1127694 0.84 CNR1 (0.40) CNR1HTR1AADAMTS7ADAMTS5BACE1
SCHEMBL1848884 0.83 OPRL1 (0.38) CNR1MAPK14HTR1AADAMTS7ADAMTS5
SCHEMBL476535 0.82 CNR1 (0.40) CNR1HTR1AHTR7KCNH2
Hydrochloric Acid SCHEMBL2159448 0.82 OPRL1 (0.37) CNR1MAPK14HTR1AADAMTS7ADAMTS5
SCHEMBL1846307 0.82 CNR1 (0.40) CNR1BACE1CTSDBACE2KCNH2
SCHEMBL1987339 0.81 CNR1 (0.41) CNR1HTR1AADAMTS7ADAMTS5ADRA1A
SCHEMBL1846836 0.80 FASN (0.38) CNR1MAPK14HTR1AADAMTS7ADAMTS5
SCHEMBL2158551 0.80 CNR1 (0.39) CNR1HTR1A
SCHEMBL476233 0.79 CNR1 (0.41) CNR1HTR1AHTR7KCNH2

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 9 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
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
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 48/4885MAPK14 2543/4885HTR1A 773/4885

“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.