SCHEMBL2389654

SCHEMBL2389654

O=C(c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(=O)N2CCOCC2)c1)N1CCC(c2cccnc2)C1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.51
SPR P35270 1/20 0.43
ALOX5AP P20292 2/20 0.42
FEN1 P39748 2/20 0.42
ROCK2 O75116 1/20 0.42
PROKR1 Q8TCW9 2/20 0.42
CYP2C9 P11712 1/20 0.41
SLC9A1 P19634 1/20 0.41
KCNH2 Q12809 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
SCD5 Q86SK9 2/20 0.41
CYP3A4 P08684 1/20 0.41
RORC P51449 1/20 0.40
SCD O00767 1/20 0.40
CAMK1D Q8IU85 1/20 0.39
HSD11B1 P28845 1/20 0.39
SCN9A Q15858 1/20 0.39

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
SCHEMBL2390723 0.89 NAMPT (0.55) NAMPTSPRROCK2PROKR1CYP2C9
SCHEMBL2390273 0.86 NAMPT (0.52) NAMPTSPRROCK2PROKR1CYP2C9
SCHEMBL2389850 0.86 NAMPT (0.52) NAMPTSPRROCK2PROKR1CYP2C9
SCHEMBL2389357 0.86 NAMPT (0.59) NAMPTSPRROCK2PROKR1CYP2C9
SCHEMBL2389098 0.86 NAMPT (0.56) NAMPTSPRROCK2PROKR1CYP2C9
SCHEMBL2390754 0.86 NAMPT (0.56) NAMPTSPRROCK2PROKR1CYP2C9
SCHEMBL2390814 0.86 NAMPT (0.56) NAMPTSPRROCK2PROKR1CYP2C9
SCHEMBL2386911 0.85 NAMPT (0.51) NAMPTSPRROCK2PROKR1CYP2C9
SCHEMBL2391739 0.85 NAMPT (0.56) NAMPTSPRROCK2PROKR1CYP2C9
SCHEMBL2387224 0.85 NAMPT (0.56) NAMPTSPRROCK2PROKR1CYP2C9

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 2170/4885SPR 2765/4885ALOX5AP 163/4885

“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.