SCHEMBL2387987

SCHEMBL2387987

O=C(c1cc(F)cc(-c2ccccc2)c1)N1CCC(c2cccnc2)C1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.62
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
ATM Q13315 1/20 0.56
SPR P35270 1/20 0.52
SCD5 Q86SK9 4/20 0.49
SCD O00767 2/20 0.48
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
HSD11B1 P28845 2/20 0.47
ALDH1A1 P00352 1/20 0.45
CCR5 P51681 1/20 0.45
ROCK2 O75116 1/20 0.44
RORC P51449 1/20 0.44

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
SCHEMBL2388975 0.93 NAMPT (0.61) NAMPTNPC1RAB9AATMSPR
SCHEMBL15732634 0.90 NAMPT (0.65) NAMPTNPC1RAB9AATMSPR
SCHEMBL2391606 0.87 NAMPT (0.61) NAMPTNPC1RAB9AATMSPR
SCHEMBL2389895 0.87 NAMPT (0.54) NAMPTNPC1RAB9AATMSPR
SCHEMBL2392406 0.87 NAMPT (0.66) NAMPTNPC1RAB9AATMSPR
SCHEMBL2388608 0.86 NAMPT (0.64) NAMPTNPC1RAB9AATMSPR
SCHEMBL2386692 0.86 NAMPT (0.73) NAMPTNPC1RAB9AATMSPR
SCHEMBL2390861 0.86 NAMPT (0.67) NAMPTNPC1RAB9AATMSPR
SCHEMBL2388351 0.85 NAMPT (0.64) NAMPTNPC1RAB9AATMSPR
SCHEMBL2390752 0.85 NAMPT (0.52) NAMPTNPC1RAB9AATMSPR

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-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
EP-2375904-A1 BIARYL CARBOXAMIDES Merck Sharp & Dohme Corp. (US) 2011-10-19 EP claimed
US-20110230498-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. 2011-09-22 US 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 2170/4885NPC1 561/4885RAB9A 2259/4885

“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.