SCHEMBL2158551

SCHEMBL2158551

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.39
CNR2 P34972 1/20 0.38
HTR1A P08908 2/20 0.35
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 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
SCHEMBL2158463 0.90 CNR1 (0.40) CNR1CNR2HTR1A
SCHEMBL1848884 0.87 OPRL1 (0.38) CNR1HTR1APRKAB2PRKAG1PRKAA2
Hydrochloric Acid SCHEMBL2159448 0.86 OPRL1 (0.37) CNR1HTR1APRKAB2PRKAG1PRKAA2
SCHEMBL2158240 0.83 CNR1 (0.37) CNR1CNR2HTR1AALDH1A1GAA
SCHEMBL2159454 0.83 CNR1 (0.49) CNR1CNR2HTR1APRKAB2PRKAG1
SCHEMBL1848051 0.83 CNR1 (0.45) CNR1CNR2PRKAB2PRKAG1PRKAA2
SCHEMBL2159825 0.80 CNR1 (0.49) CNR1CNR2HTR1APRKAB2PRKAG1
SCHEMBL2159649 0.80 CNR1 (0.40) CNR1HTR1A
SCHEMBL2159761 0.79 CNR1 (0.46) CNR1CNR2
SCHEMBL2158533 0.79 PRKAB2 (0.38) CNR1CNR2PRKAB2PRKAG1PRKAA2

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 8 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
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 46/4885HTR1A 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.