SCHEMBL2389867

SCHEMBL2389867

CC(C)(O)CNC(=O)c1cc(C(=O)N2CCC(c3cccnc3)C2)ccc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.48
CCR2 P41597 2/20 0.42
KCNH2 Q12809 2/20 0.42
ROCK2 O75116 3/20 0.42
PROKR1 Q8TCW9 2/20 0.41
SPR P35270 1/20 0.41
HSD11B1 P28845 1/20 0.39
RORC P51449 2/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
SCD5 Q86SK9 1/20 0.38
SCN9A Q15858 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
CYP2C9 P11712 1/20 0.38
SLC9A1 P19634 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38

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
SCHEMBL12255760 0.96 NAMPT (0.46) NAMPTCCR2KCNH2ROCK2PROKR1
SCHEMBL2390273 0.89 NAMPT (0.52) NAMPTCCR2KCNH2ROCK2PROKR1
SCHEMBL2386911 0.87 NAMPT (0.51) NAMPTCCR2KCNH2ROCK2PROKR1
SCHEMBL2389850 0.86 NAMPT (0.52) NAMPTCCR2KCNH2ROCK2PROKR1
SCHEMBL2390723 0.86 NAMPT (0.55) NAMPTROCK2PROKR1SPRHSD11B1
SCHEMBL12255787 0.86 NAMPT (0.49) NAMPTCCR2KCNH2ROCK2PROKR1
SCHEMBL2389262 0.84 NAMPT (0.53) NAMPTCCR2KCNH2ROCK2PROKR1
SCHEMBL2389919 0.83 NAMPT (0.56) NAMPTCCR2KCNH2ROCK2PROKR1
SCHEMBL2483786 0.83 CCR2 (0.41) NAMPTCCR2KCNH2SPRRORC
SCHEMBL2390754 0.82 NAMPT (0.56) NAMPTROCK2PROKR1SPRHSD11B1

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
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
US-8367679-B2 Biaryl carboxamides MERCK SHARP & DOHME CORP. (US) 2013-02-05 US 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
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 2170/4885CCR2 234/4885KCNH2 847/4885

“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.