SCHEMBL2392406

SCHEMBL2392406

O=C(c1cccc(-c2cccc(F)c2)c1)N1CCC(c2cccnc2)C1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.66
ABL1 P00519 1/20 0.56
BCR P11274 1/20 0.56
SPR P35270 1/20 0.53
SCD5 Q86SK9 3/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ATM Q13315 1/20 0.51
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD11B1 P28845 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
PARP14 Q460N5 1/20 0.45
PARP10 Q53GL7 1/20 0.45

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
SCHEMBL15732634 0.95 NAMPT (0.65) NAMPTABL1BCRSPRSCD5
SCHEMBL2388975 0.94 NAMPT (0.61) NAMPTABL1BCRSPRSCD5
SCHEMBL2390861 0.93 NAMPT (0.67) NAMPTABL1BCRSPRSCD5
SCHEMBL2386692 0.93 NAMPT (0.73) NAMPTABL1BCRSPRSCD5
SCHEMBL2389900 0.91 NAMPT (0.62) NAMPTABL1BCRSPRSCD5
SCHEMBL2391606 0.90 NAMPT (0.61) NAMPTABL1BCRSPRSCD5
SCHEMBL2390671 0.89 NAMPT (0.60) NAMPTABL1BCRSPRSCD5
SCHEMBL2389775 0.89 NAMPT (0.56) NAMPTABL1BCRSPRSCD5
SCHEMBL2389651 0.88 NAMPT (0.61) NAMPTABL1BCRSPRSCD5
SCHEMBL2387987 0.87 NAMPT (0.62) NAMPTABL1BCRSPRSCD5

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 8 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
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 2170/4885ABL1 2705/4885BCR 1714/4885

“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.