SCHEMBL2389753

SCHEMBL2389753

CC(C)Oc1cc(C(=O)N2CCC(c3cccnc3)C2)ccc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.52
ROCK2 O75116 2/20 0.51
PROKR1 Q8TCW9 4/20 0.45
SPR P35270 1/20 0.44
CCR2 P41597 1/20 0.43
KCNH2 Q12809 1/20 0.43
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
SCN9A Q15858 1/20 0.41
RORC P51449 2/20 0.41
CYP2C9 P11712 1/20 0.40
SLC9A1 P19634 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
APLNR P35414 1/20 0.40
HSD11B1 P28845 1/20 0.40

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
SCHEMBL12255740 0.95 NAMPT (0.49) NAMPTROCK2PROKR1SPRCCR2
SCHEMBL2390747 0.91 ROCK2 (0.62) NAMPTROCK2PROKR1SPRLMNA
SCHEMBL2390868 0.89 NAMPT (0.54) NAMPTROCK2PROKR1SPRLMNA
SCHEMBL2388732 0.89 NAMPT (0.52) NAMPTROCK2PROKR1SPRCCR2
SCHEMBL2389919 0.87 NAMPT (0.56) NAMPTROCK2PROKR1SPRCCR2
SCHEMBL2389357 0.86 NAMPT (0.59) NAMPTROCK2PROKR1SPRNPC1
SCHEMBL2390814 0.86 NAMPT (0.56) NAMPTROCK2PROKR1SPRNPC1
SCHEMBL2389098 0.86 NAMPT (0.56) NAMPTROCK2PROKR1SPRCCR2
SCHEMBL2390754 0.86 NAMPT (0.56) NAMPTROCK2PROKR1SPRNPC1
SCHEMBL2391739 0.85 NAMPT (0.56) NAMPTROCK2PROKR1SPRCCR2

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 11 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
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
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
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 2170/4885ROCK2 1766/4885PROKR1 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.