SCHEMBL2390969

SCHEMBL2390969

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.59
SLC6A7 Q99884 1/20 0.55
MGLL Q99685 2/20 0.50
SPR P35270 1/20 0.50
ABL1 P00519 2/20 0.48
BCR P11274 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ATM Q13315 1/20 0.47
GHSR Q92847 1/20 0.47
SLC9A1 P19634 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP3A4 P08684 1/20 0.46
HTR2B P41595 1/20 0.46
CCR2 P41597 1/20 0.46
KCNH2 Q12809 1/20 0.46
HSD11B1 P28845 1/20 0.45
RBP4 P02753 1/20 0.45
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44

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
SCHEMBL2390000 0.92 NAMPT (0.61) NAMPTSLC6A7SPRABL1BCR
SCHEMBL2390771 0.91 NAMPT (0.54) NAMPTSLC6A7SPRNPC1RAB9A
SCHEMBL2389787 0.91 NAMPT (0.61) NAMPTSLC6A7SPRNPC1RAB9A
SCHEMBL2387812 0.89 NAMPT (0.62) NAMPTSPRABL1BCRNPC1
SCHEMBL2391621 0.89 NAMPT (0.57) NAMPTSPRABL1BCRNPC1
SCHEMBL12255559 0.88 NAMPT (0.56) NAMPTSPRABL1BCRNPC1
SCHEMBL2390861 0.87 NAMPT (0.67) NAMPTSPRABL1BCRNPC1
SCHEMBL2389895 0.86 NAMPT (0.54) NAMPTSPRNPC1RAB9AATM
SCHEMBL2391018 0.86 NAMPT (0.57) NAMPTSLC6A7SPRNPC1RAB9A
SCHEMBL2391187 0.86 NAMPT (0.58) NAMPTSLC6A7SPRNPC1RAB9A

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 NAMPT 2170/4885SLC6A7 4787/4885MGLL 150/4885

“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.