SCHEMBL2390143

SCHEMBL2390143

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.53
SPR P35270 1/20 0.45
SCD5 Q86SK9 3/20 0.45
HTR2C P28335 1/20 0.44
HSD11B1 P28845 2/20 0.43
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
EPHX2 P34913 1/20 0.42
RORC P51449 3/20 0.42
SLC6A7 Q99884 1/20 0.41
PARP10 Q53GL7 2/20 0.41
PARP14 Q460N5 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
SCHEMBL2390752 0.91 NAMPT (0.52) NAMPTSPRSCD5HTR2CHSD11B1
SCHEMBL2391105 0.89 NAMPT (0.55) NAMPTSPRHSD11B1ABL1BCR
SCHEMBL2388975 0.88 NAMPT (0.61) NAMPTSPRSCD5HSD11B1ABL1
SCHEMBL2389775 0.87 NAMPT (0.56) NAMPTSPRSCD5HSD11B1ABL1
SCHEMBL2392406 0.86 NAMPT (0.66) NAMPTSPRSCD5HSD11B1ABL1
SCHEMBL2385535 0.86 NAMPT (0.56) NAMPTSPRABL1BCREPHX2
SCHEMBL2389570 0.86 SLC6A7 (0.57) NAMPTSPRHSD11B1ABL1BCR
SCHEMBL2388894 0.85 NAMPT (0.55) NAMPTSPRHSD11B1ABL1EPHX2
SCHEMBL2390861 0.84 NAMPT (0.67) NAMPTSPRSCD5HSD11B1ABL1
SCHEMBL15732634 0.84 NAMPT (0.65) NAMPTSPRSCD5HSD11B1ABL1

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
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
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 2765/4885SCD5 556/4885

“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.