SCHEMBL2389570

SCHEMBL2389570

O=C(c1ccc(-c2cccc(OC(F)(F)F)c2)cc1)N1CCC(c2cccnc2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.57
NAMPT P43490 2/20 0.56
GHSR Q92847 1/20 0.49
ABL1 P00519 2/20 0.48
BCR P11274 2/20 0.48
SPR P35270 1/20 0.48
MGLL Q99685 2/20 0.47
HTR2B P41595 2/20 0.47
HSD11B1 P28845 2/20 0.46
USP30 Q70CQ3 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
EPHX2 P34913 1/20 0.45
MAPK7 Q13164 1/20 0.44
PARP14 Q460N5 1/20 0.44
PARP10 Q53GL7 1/20 0.44
SCN9A Q15858 1/20 0.44
CYP2C9 P11712 1/20 0.43
SLC9A1 P19634 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
SCHEMBL2391105 0.94 NAMPT (0.55) SLC6A7NAMPTGHSRABL1BCR
SCHEMBL2391295 0.92 NAMPT (0.58) NAMPTSPRMGLLHTR2BHSD11B1
SCHEMBL2385535 0.91 NAMPT (0.56) SLC6A7NAMPTGHSRABL1BCR
SCHEMBL2390752 0.87 NAMPT (0.52) SLC6A7NAMPTSPRHTR2BHSD11B1
SCHEMBL2390143 0.86 NAMPT (0.53) SLC6A7NAMPTABL1BCRSPR
SCHEMBL2390969 0.86 NAMPT (0.59) SLC6A7NAMPTGHSRABL1BCR
SCHEMBL2390861 0.85 NAMPT (0.67) NAMPTABL1BCRSPRHTR2B
SCHEMBL2281053 0.84 NAMPT (0.52) SLC6A7NAMPTGHSRSPRMGLL
SCHEMBL2283708 0.83 NAMPT (0.51) SLC6A7NAMPTGHSRSPRMGLL
SCHEMBL2280617 0.83 NAMPT (0.51) SLC6A7NAMPTGHSRSPRMGLL

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 SLC6A7 4787/4885NAMPT 2170/4885GHSR 3027/4885

“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.