SCHEMBL2390000

SCHEMBL2390000

O=C(c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)N1CCC(c2cccnc2)C1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.61
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
ATM Q13315 1/20 0.52
SPR P35270 1/20 0.52
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.47
SLC9A1 P19634 1/20 0.47
HSD11B1 P28845 2/20 0.46
PROKR1 Q8TCW9 2/20 0.46
SCN9A Q15858 1/20 0.46
HTR2B P41595 1/20 0.45
RORC P51449 1/20 0.45
SLC6A7 Q99884 1/20 0.45
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
ROCK2 O75116 1/20 0.44
CCR2 P41597 1/20 0.44
KCNH2 Q12809 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
SCHEMBL2387812 0.94 NAMPT (0.62) NAMPTNPC1RAB9AATMSPR
SCHEMBL12255559 0.93 NAMPT (0.56) NAMPTNPC1RAB9AATMSPR
SCHEMBL2388461 0.93 NAMPT (0.57) NAMPTNPC1RAB9AATMSPR
SCHEMBL2389787 0.93 NAMPT (0.61) NAMPTNPC1RAB9AATMSPR
SCHEMBL2391018 0.92 NAMPT (0.57) NAMPTNPC1RAB9AATMSPR
SCHEMBL2390969 0.92 NAMPT (0.59) NAMPTNPC1RAB9AATMSPR
SCHEMBL2389841 0.91 NAMPT (0.54) NAMPTNPC1RAB9AATMSPR
SCHEMBL2391621 0.90 NAMPT (0.57) NAMPTNPC1RAB9AATMSPR
SCHEMBL2389895 0.90 NAMPT (0.54) NAMPTNPC1RAB9AATMSPR
SCHEMBL2391187 0.88 NAMPT (0.58) 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 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
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
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 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.