SCHEMBL2389798

SCHEMBL2389798

O=C(c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2cccc(F)c2)c1)N1CCC(c2cccnc2)C1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.56
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
RORC P51449 3/20 0.44
SPR P35270 1/20 0.44
SCD5 Q86SK9 2/20 0.43
ROCK2 O75116 1/20 0.43
PROKR1 Q8TCW9 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.42
SLC9A1 P19634 1/20 0.42
KDM1A O60341 1/20 0.42

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
SCHEMBL2390814 0.93 NAMPT (0.56) NAMPTNPC1RAB9AATMRORC
SCHEMBL2387816 0.92 NAMPT (0.56) NAMPTNPC1RAB9AATMRORC
SCHEMBL2387834 0.92 NAMPT (0.65) NAMPTNPC1RAB9AATMRORC
SCHEMBL2389804 0.92 NAMPT (0.55) NAMPTNPC1RAB9AATMRORC
SCHEMBL2388766 0.90 NAMPT (0.55) NAMPTNPC1RAB9AATMRORC
SCHEMBL2390745 0.89 NAMPT (0.54) NAMPTNPC1RAB9AATMRORC
SCHEMBL2387880 0.89 NAMPT (0.52) NAMPTNPC1RAB9AATMRORC
SCHEMBL2387611 0.89 NAMPT (0.54) NAMPTNPC1RAB9AATMRORC
SCHEMBL2390063 0.88 NAMPT (0.55) NAMPTNPC1RAB9AATMRORC
SCHEMBL2389357 0.88 NAMPT (0.59) NAMPTNPC1RAB9AATMRORC

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 4 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
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 NAMPT 2170/4885ABL1 2705/4885BCR 1714/4885

“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.