SCHEMBL2387066

SCHEMBL2387066

O=C(c1ccc(-c2ccccc2)c(F)c1)N1CCC(c2cccnc2)C1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.64
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
ATM Q13315 1/20 0.55
ALDH1A1 P00352 3/20 0.52
ROCK2 O75116 2/20 0.52
HTT P42858 2/20 0.52
POLB P06746 1/20 0.52
HSP90AA1 P07900 1/20 0.52
SPR P35270 1/20 0.52
SCD5 Q86SK9 3/20 0.48
SCD O00767 1/20 0.48
LMNA P02545 1/20 0.47
HSD11B1 P28845 1/20 0.46

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
SCHEMBL2388720 0.90 NAMPT (0.61) NAMPTNPC1RAB9AATMALDH1A1
SCHEMBL2388346 0.88 NAMPT (0.58) NAMPTNPC1RAB9AATMALDH1A1
SCHEMBL2389357 0.88 NAMPT (0.59) NAMPTNPC1RAB9AATMROCK2
SCHEMBL2389808 0.87 NAMPT (0.58) NAMPTNPC1RAB9AATMROCK2
SCHEMBL2392419 0.87 NAMPT (0.59) NAMPTNPC1RAB9AATMALDH1A1
SCHEMBL2389112 0.87 NAMPT (0.59) NAMPTNPC1RAB9AATMALDH1A1
SCHEMBL2388247 0.86 ROCK2 (0.70) NAMPTNPC1RAB9AATMALDH1A1
SCHEMBL2393040 0.86 NAMPT (0.58) NAMPTNPC1RAB9AATMALDH1A1
SCHEMBL2388534 0.86 NAMPT (0.58) NAMPTNPC1RAB9AATMALDH1A1
SCHEMBL2388267 0.85 NAMPT (0.56) NAMPTNPC1RAB9AATMALDH1A1

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 2170/4885NPC1 561/4885RAB9A 2259/4885

“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.