SCHEMBL2389808

SCHEMBL2389808

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

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.58
SLC9A1 P19634 5/20 0.51
CYP2C9 P11712 3/20 0.51
SCD5 Q86SK9 3/20 0.50
ROCK2 O75116 2/20 0.50
SPR P35270 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
SCN9A Q15858 1/20 0.46
SCD O00767 1/20 0.46
FFAR2 O15552 1/20 0.44
CYP2C19 P33261 2/20 0.44
HSD11B1 P28845 1/20 0.44
CYP2D6 P10635 1/20 0.44
RBP4 P02753 1/20 0.43

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
SCHEMBL2390754 0.91 NAMPT (0.56) NAMPTSLC9A1CYP2C9SCD5ROCK2
SCHEMBL2388720 0.87 NAMPT (0.61) NAMPTSLC9A1CYP2C9SCD5ROCK2
SCHEMBL2387066 0.87 NAMPT (0.64) NAMPTSCD5ROCK2SPRNPC1
SCHEMBL2389804 0.87 NAMPT (0.55) NAMPTSCD5ROCK2SPRNPC1
SCHEMBL2388346 0.85 NAMPT (0.58) NAMPTSCD5ROCK2SPRNPC1
SCHEMBL2389112 0.84 NAMPT (0.59) NAMPTSCD5ROCK2SPRNPC1
SCHEMBL2392419 0.84 NAMPT (0.59) NAMPTSCD5ROCK2SPRNPC1
SCHEMBL2389262 0.84 NAMPT (0.53) NAMPTSLC9A1CYP2C9SCD5ROCK2
SCHEMBL2388247 0.84 ROCK2 (0.70) NAMPTSCD5ROCK2SPRNPC1
SCHEMBL2393040 0.83 NAMPT (0.58) NAMPTSLC9A1CYP2C9SCD5ROCK2

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
EP-2375904-A1 BIARYL CARBOXAMIDES Merck Sharp & Dohme Corp. (US) 2011-10-19 EP 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 2170/4885SLC9A1 3920/4885CYP2C9 1046/4885

“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.