SCHEMBL2389357

SCHEMBL2389357

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.59
SPR P35270 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ATM Q13315 1/20 0.47
ROCK2 O75116 2/20 0.47
PROKR1 Q8TCW9 2/20 0.47
RORC P51449 2/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.43
SLC9A1 P19634 1/20 0.43
HSD11B1 P28845 1/20 0.43
MGLL Q99685 1/20 0.43
SCD5 Q86SK9 1/20 0.42
SCN9A Q15858 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
SCHEMBL2389098 0.91 NAMPT (0.56) NAMPTSPRNPC1RAB9AATM
SCHEMBL2390754 0.91 NAMPT (0.56) NAMPTSPRNPC1RAB9AATM
SCHEMBL2390814 0.91 NAMPT (0.56) NAMPTSPRNPC1RAB9AATM
SCHEMBL2387224 0.90 NAMPT (0.56) NAMPTSPRNPC1RAB9AATM
SCHEMBL2389919 0.90 NAMPT (0.56) NAMPTSPRNPC1RAB9AATM
SCHEMBL2391739 0.90 NAMPT (0.56) NAMPTSPRNPC1RAB9AATM
SCHEMBL2387834 0.90 NAMPT (0.65) NAMPTSPRNPC1RAB9AATM
SCHEMBL2388766 0.89 NAMPT (0.55) NAMPTSPRNPC1RAB9AATM
SCHEMBL2390723 0.89 NAMPT (0.55) NAMPTSPRNPC1RAB9AATM
SCHEMBL2390063 0.89 NAMPT (0.55) NAMPTSPRNPC1RAB9AATM

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 5 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
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 2170/4885SPR 2765/4885NPC1 561/4885

“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.