SCHEMBL2388017

SCHEMBL2388017

O=C(c1cc(-c2ccc3ncccc3c2)cc(C(F)(F)F)c1)N1CCC(c2cccnc2)C1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.57
HPGD P15428 1/20 0.47
SCN9A Q15858 2/20 0.46
SPR P35270 1/20 0.45
SYK P43405 1/20 0.43
PROKR1 Q8TCW9 2/20 0.42
RORC P51449 1/20 0.41
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
HSD11B1 P28845 1/20 0.40
CYP3A4 P08684 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 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
SCHEMBL2388351 0.89 NAMPT (0.64) NAMPTHPGDSPRDPP4DPP8
SCHEMBL2388461 0.89 NAMPT (0.57) NAMPTSCN9ASPRPROKR1RORC
SCHEMBL2388894 0.88 NAMPT (0.55) NAMPTHPGDSCN9ASPRDPP4
SCHEMBL2391018 0.88 NAMPT (0.57) NAMPTSCN9ASPRPROKR1RORC
SCHEMBL2393145 0.87 NAMPT (0.63) NAMPTHPGDSPRDPP4DPP8
SCHEMBL2390771 0.87 NAMPT (0.54) NAMPTHPGDSPRPROKR1RORC
SCHEMBL2388786 0.87 NAMPT (0.65) NAMPTHPGDSPRDPP4DPP8
SCHEMBL2387056 0.86 NAMPT (0.52) NAMPTSPRSYKRORCHSD11B1
SCHEMBL2389895 0.86 NAMPT (0.54) NAMPTSCN9ASPRSYKPROKR1
SCHEMBL2387795 0.85 NAMPT (0.54) NAMPTSCN9ASPRPROKR1RORC

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 2170/4885HPGD 1194/4885SCN9A 1077/4885

“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.