SCHEMBL2390771

SCHEMBL2390771

O=C(c1cc(-c2cccc(C(F)(F)F)c2)cc(C(F)(F)F)c1)N1CCC(c2cccnc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.54
SPR P35270 1/20 0.49
CCR2 P41597 1/20 0.47
KCNH2 Q12809 1/20 0.47
RHOA P61586 4/20 0.46
RBP4 P02753 1/20 0.46
RORC P51449 1/20 0.45
SLC6A7 Q99884 1/20 0.45
CYP2C9 P11712 1/20 0.45
SLC9A1 P19634 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
HSD11B1 P28845 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
PROKR1 Q8TCW9 2/20 0.44
SCD O00767 1/20 0.43
SCD5 Q86SK9 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
SCHEMBL2388461 0.94 NAMPT (0.57) NAMPTSPRCCR2KCNH2RHOA
SCHEMBL2389775 0.94 NAMPT (0.56) NAMPTSPRRHOARORCCYP2C9
SCHEMBL2389895 0.93 NAMPT (0.54) NAMPTSPRRORCCYP2C9SLC9A1
SCHEMBL2391621 0.93 NAMPT (0.57) NAMPTSPRCCR2KCNH2RHOA
SCHEMBL2390969 0.91 NAMPT (0.59) NAMPTSPRCCR2KCNH2RBP4
SCHEMBL2391018 0.91 NAMPT (0.57) NAMPTSPRRORCSLC6A7CYP2C9
SCHEMBL2387795 0.91 NAMPT (0.54) NAMPTSPRCCR2KCNH2RHOA
SCHEMBL2390000 0.87 NAMPT (0.61) NAMPTSPRCCR2KCNH2RORC
SCHEMBL2388017 0.87 NAMPT (0.57) NAMPTSPRRORCNPC1RAB9A
SCHEMBL2387056 0.86 NAMPT (0.52) NAMPTSPRRBP4RORCHSD11B1

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 7 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
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
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 2170/4885SPR 2765/4885CCR2 234/4885

“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.