SCHEMBL2389086

SCHEMBL2389086

Cc1cc(-c2ccccc2)ccc1C(=O)N1CCC(c2cccnc2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.55
SPR P35270 1/20 0.52
HSD11B1 P28845 5/20 0.49
SCD5 Q86SK9 3/20 0.48
SCD O00767 2/20 0.48
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
MYC P01106 1/20 0.46
GHSR Q92847 1/20 0.45
ALDH1A1 P00352 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ATM Q13315 1/20 0.45
ROCK2 O75116 1/20 0.44
CYP2C9 P11712 1/20 0.43
HTR2B P41595 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43
HTT P42858 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
SCHEMBL2387678 0.88 NAMPT (0.57) NAMPTSPRHSD11B1SCD5SCD
SCHEMBL2391652 0.87 NAMPT (0.53) NAMPTSPRHSD11B1CYP2C9HTR2B
SCHEMBL2388338 0.87 NAMPT (0.52) NAMPTSPRHSD11B1SCD5ALDH1A1
SCHEMBL15732482 0.87 NAMPT (0.56) NAMPTSPRHSD11B1
SCHEMBL2388608 0.86 NAMPT (0.64) NAMPTSPRHSD11B1SCD5SCD
SCHEMBL2515767 0.86 NAMPT (0.49) NAMPTSPRHSD11B1MKNK1MKNK2
SCHEMBL14670316 0.85 NAMPT (0.52) NAMPTSPRHSD11B1SCD5SCD
SCHEMBL2391643 0.83 NAMPT (0.51) NAMPTSPRHSD11B1ROCK2
SCHEMBL2391606 0.83 NAMPT (0.61) NAMPTSPRHSD11B1SCD5SCD
SCHEMBL2388346 0.83 NAMPT (0.58) NAMPTSPRHSD11B1SCD5SCD

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 10 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
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 2170/4885SPR 2765/4885HSD11B1 1908/4885

“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.