SCHEMBL2390868

SCHEMBL2390868

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.54
ROCK2 O75116 2/20 0.51
SPR P35270 1/20 0.46
PROKR1 Q8TCW9 3/20 0.45
CYP2C9 P11712 2/20 0.43
EPHX2 P34913 1/20 0.43
CYP2J2 P51589 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
SCN9A Q15858 1/20 0.43
RORC P51449 1/20 0.42
LMNA P02545 1/20 0.42
SLC9A1 P19634 1/20 0.42
HSD11B1 P28845 1/20 0.41
SCD5 Q86SK9 1/20 0.41
CYP3A4 P08684 1/20 0.41
PARP14 Q460N5 1/20 0.40
PARP10 Q53GL7 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
SCHEMBL2390747 0.91 ROCK2 (0.62) NAMPTROCK2SPRPROKR1NPC1
SCHEMBL2390964 0.89 NAMPT (0.53) NAMPTROCK2SPRPROKR1EPHX2
SCHEMBL2388732 0.89 NAMPT (0.52) NAMPTROCK2SPRPROKR1CYP2C9
SCHEMBL2389753 0.89 NAMPT (0.52) NAMPTROCK2SPRPROKR1CYP2C9
SCHEMBL2389098 0.89 NAMPT (0.56) NAMPTROCK2SPRPROKR1CYP2C9
SCHEMBL2390814 0.89 NAMPT (0.56) NAMPTROCK2SPRPROKR1CYP2C9
SCHEMBL2390754 0.89 NAMPT (0.56) NAMPTROCK2SPRPROKR1CYP2C9
SCHEMBL2389357 0.89 NAMPT (0.59) NAMPTROCK2SPRPROKR1CYP2C9
SCHEMBL2391739 0.88 NAMPT (0.56) NAMPTROCK2SPRPROKR1CYP2C9
SCHEMBL2387224 0.88 NAMPT (0.56) NAMPTROCK2SPRPROKR1CYP2C9

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 9 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
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 2170/4885ROCK2 1766/4885SPR 2765/4885

“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.