SCHEMBL2388910

SCHEMBL2388910

O=C(c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2ccc(OCC(F)(F)F)nc2)c1)N1CCC(c2cccnc2)C1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.57
NAMPT P43490 4/20 0.51
ROCK2 O75116 1/20 0.42
PROKR1 Q8TCW9 2/20 0.42
SPR P35270 1/20 0.41
KDM1A O60341 1/20 0.41

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
SCHEMBL2387844 0.93 NAMPT (0.49) SCN9ANAMPTROCK2PROKR1SPR
SCHEMBL2390978 0.92 NAMPT (0.51) SCN9ANAMPTROCK2PROKR1SPR
SCHEMBL2390098 0.92 NAMPT (0.51) SCN9ANAMPTROCK2PROKR1SPR
SCHEMBL2387611 0.88 NAMPT (0.54) SCN9ANAMPTROCK2PROKR1SPR
SCHEMBL2390814 0.88 NAMPT (0.56) SCN9ANAMPTROCK2PROKR1SPR
SCHEMBL2385498 0.88 NAMPT (0.53) SCN9ANAMPTROCK2PROKR1SPR
SCHEMBL2387880 0.87 NAMPT (0.52) SCN9ANAMPTROCK2PROKR1SPR
SCHEMBL2387834 0.86 NAMPT (0.65) NAMPTROCK2PROKR1SPRKDM1A
SCHEMBL2389804 0.86 NAMPT (0.55) SCN9ANAMPTROCK2PROKR1SPR
SCHEMBL2390063 0.86 NAMPT (0.55) SCN9ANAMPTROCK2PROKR1SPR

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
EP-2375904-B1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME (US) 2014-05-28 EP claimed
US-8367679-B2 Biaryl carboxamides MERCK SHARP & DOHME CORP. (US) 2013-02-05 US claimed
US-20110230498-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. 2011-09-22 US claimed
EP-2375904-B1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME (US) 2014-05-28 EP disclosed
US-8367679-B2 Biaryl carboxamides MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-20110230498-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. 2011-09-22 US 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-20110230498-A1 BIARYL CARBOXAMIDES PAFAH1B3, PAFAH1B2, FAAH2 SCN9A 1077/4885NAMPT 2170/4885ROCK2 1766/4885

“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.