SCHEMBL2391018

SCHEMBL2391018

O=C(c1cc(-c2ccc(C(F)(F)F)cc2)cc(C(F)(F)F)c1)N1CCC(c2cccnc2)C1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.57
SPR P35270 1/20 0.50
PROKR1 Q8TCW9 2/20 0.48
RORC P51449 3/20 0.47
CYP3A4 P08684 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
HSD11B1 P28845 2/20 0.45
CYP2C9 P11712 1/20 0.43
SLC9A1 P19634 1/20 0.43
SCN9A Q15858 2/20 0.43
SCD5 Q86SK9 2/20 0.42
SLC6A7 Q99884 1/20 0.42
SCD O00767 1/20 0.42

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
SCHEMBL2388461 0.95 NAMPT (0.57) NAMPTSPRPROKR1RORCCYP3A4
SCHEMBL2389895 0.94 NAMPT (0.54) NAMPTSPRPROKR1RORCNPC1
SCHEMBL2390000 0.92 NAMPT (0.61) NAMPTSPRPROKR1RORCCYP3A4
SCHEMBL2390771 0.91 NAMPT (0.54) NAMPTSPRPROKR1RORCNPC1
SCHEMBL2387795 0.91 NAMPT (0.54) NAMPTSPRPROKR1RORCCYP3A4
SCHEMBL2389787 0.91 NAMPT (0.61) NAMPTSPRPROKR1RORCCYP3A4
SCHEMBL2389775 0.89 NAMPT (0.56) NAMPTSPRPROKR1RORCCYP3A4
SCHEMBL2387812 0.89 NAMPT (0.62) NAMPTSPRPROKR1RORCCYP3A4
SCHEMBL2391621 0.89 NAMPT (0.57) NAMPTSPRPROKR1RORCNPC1
SCHEMBL12255559 0.88 NAMPT (0.56) NAMPTSPRPROKR1RORCCYP3A4

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
US-8367679-B2 Biaryl carboxamides MERCK SHARP & DOHME CORP. (US) 2013-02-05 US claimed
EP-2375904-A1 BIARYL CARBOXAMIDES Merck Sharp & Dohme Corp. (US) 2011-10-19 EP claimed
WO-2010077624-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2010-07-08 WO 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
EP-2375904-A1 BIARYL CARBOXAMIDES Merck Sharp & Dohme Corp. (US) 2011-10-19 EP disclosed
US-20110230498-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. 2011-09-22 US disclosed
WO-2010077624-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2010-07-08 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-20110230498-A1 BIARYL CARBOXAMIDES PAFAH1B3, PAFAH1B2, FAAH2 NAMPT 2170/4885SPR 2765/4885PROKR1 1753/4885

“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.