SCHEMBL2389804

SCHEMBL2389804

O=C(c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2ccccc2)c1)N1CCC(c2cccnc2)C1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.55
ROCK2 O75116 2/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ATM Q13315 1/20 0.48
SPR P35270 1/20 0.47
KDM1A O60341 2/20 0.46
PROKR1 Q8TCW9 4/20 0.45
SCD5 Q86SK9 3/20 0.45
SCN9A Q15858 1/20 0.45
SCD O00767 1/20 0.45
RORC P51449 1/20 0.43
PARP14 Q460N5 1/20 0.42
PARP10 Q53GL7 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
SCHEMBL2390814 0.96 NAMPT (0.56) NAMPTROCK2NPC1RAB9AATM
SCHEMBL2388766 0.95 NAMPT (0.55) NAMPTROCK2NPC1RAB9AATM
SCHEMBL2387834 0.93 NAMPT (0.65) NAMPTROCK2NPC1RAB9AATM
SCHEMBL2390745 0.92 NAMPT (0.54) NAMPTROCK2NPC1RAB9AATM
SCHEMBL2389798 0.92 NAMPT (0.56) NAMPTROCK2NPC1RAB9AATM
SCHEMBL2390063 0.91 NAMPT (0.55) NAMPTROCK2NPC1RAB9AATM
SCHEMBL2390964 0.90 NAMPT (0.53) NAMPTROCK2SPRKDM1APROKR1
SCHEMBL2387800 0.90 NAMPT (0.52) NAMPTROCK2NPC1RAB9AATM
SCHEMBL2387816 0.90 NAMPT (0.56) NAMPTROCK2NPC1RAB9AATM
SCHEMBL2387880 0.90 NAMPT (0.52) NAMPTROCK2NPC1RAB9AATM

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 NAMPT 2170/4885ROCK2 1766/4885NPC1 561/4885

“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.