SCHEMBL2390752

SCHEMBL2390752

O=C(c1cc(OC(F)(F)F)cc(-c2ccccc2)c1)N1CCC(c2cccnc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.52
SPR P35270 1/20 0.48
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
EPHX2 P34913 2/20 0.45
SCD5 Q86SK9 3/20 0.44
SCD O00767 2/20 0.44
PARP14 Q460N5 1/20 0.44
PARP10 Q53GL7 1/20 0.44
HTR2C P28335 1/20 0.43
HSD11B1 P28845 1/20 0.43
ROCK2 O75116 1/20 0.43
HTR2B P41595 1/20 0.43
SCN9A Q15858 2/20 0.42
F2R P25116 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
SLC6A7 Q99884 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL2390143 0.91 NAMPT (0.53) NAMPTSPRNPC1RAB9AATM
SCHEMBL2391105 0.88 NAMPT (0.55) NAMPTSPREPHX2PARP14PARP10
SCHEMBL2389570 0.87 SLC6A7 (0.57) NAMPTSPRNPC1RAB9AATM
SCHEMBL2385535 0.87 NAMPT (0.56) NAMPTSPREPHX2PARP14PARP10
SCHEMBL2388894 0.87 NAMPT (0.55) NAMPTSPREPHX2HSD11B1HTR2B
SCHEMBL2389895 0.86 NAMPT (0.54) NAMPTSPRNPC1RAB9AATM
SCHEMBL2391295 0.86 NAMPT (0.58) NAMPTSPRNPC1RAB9AATM
SCHEMBL15732633 0.85 NAMPT (0.49) NAMPTSPREPHX2HSD11B1ROCK2
SCHEMBL2387987 0.85 NAMPT (0.62) NAMPTSPRNPC1RAB9AATM
SCHEMBL2391606 0.82 NAMPT (0.61) NAMPTSPRNPC1RAB9AATM

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 2170/4885SPR 2765/4885NPC1 561/4885

“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.