SCHEMBL2386684

SCHEMBL2386684

O=C(c1ccc(-c2ccc(Cl)c(Cl)c2)cc1)N1CCC(c2cccnc2)C1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPR P35270 3/20 0.61
NAMPT P43490 4/20 0.60
HSD11B1 P28845 2/20 0.53
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ATM Q13315 1/20 0.48
HTR2B P41595 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ROCK2 O75116 1/20 0.43
FASN P49327 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
SCHEMBL2388516 0.88 SPR (0.65) SPRNAMPTHSD11B1NPC1RAB9A
SCHEMBL2391154 0.87 SPR (0.61) SPRNAMPTHSD11B1NPC1RAB9A
SCHEMBL2390915 0.87 NAMPT (0.64) SPRNAMPTHSD11B1NPC1RAB9A
SCHEMBL2388608 0.87 NAMPT (0.64) SPRNAMPTHSD11B1NPC1RAB9A
SCHEMBL2390864 0.87 NAMPT (0.64) SPRNAMPTHSD11B1NPC1RAB9A
SCHEMBL2390911 0.85 SPR (0.63) SPRNAMPTHSD11B1NPC1RAB9A
SCHEMBL2385513 0.85 NAMPT (0.76) SPRNAMPTHSD11B1NPC1RAB9A
SCHEMBL2393166 0.85 NAMPT (0.62) SPRNAMPTHSD11B1NPC1RAB9A
SCHEMBL2390861 0.84 NAMPT (0.67) SPRNAMPTHSD11B1NPC1RAB9A
SCHEMBL2390829 0.84 NAMPT (0.61) SPRNAMPTHSD11B1NPC1RAB9A

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 SPR 2765/4885NAMPT 2170/4885HSD11B1 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.