SCHEMBL2385535

SCHEMBL2385535

O=C(c1cccc(-c2ccc(OC(F)(F)F)cc2)c1)N1CCC(c2cccnc2)C1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.56
EPHX2 P34913 1/20 0.51
SPR P35270 1/20 0.48
HTR2B P41595 1/20 0.47
PARP14 Q460N5 1/20 0.46
PARP10 Q53GL7 1/20 0.46
SLC6A7 Q99884 1/20 0.46
ABL1 P00519 8/20 0.46
BCR P11274 2/20 0.46
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
MAPK7 Q13164 1/20 0.44
F2R P25116 1/20 0.44
GHSR Q92847 1/20 0.44
SCN9A Q15858 1/20 0.44
OPRM1 P35372 1/20 0.43
KCNH2 Q12809 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
SCHEMBL2391105 0.94 NAMPT (0.55) NAMPTEPHX2SPRPARP14PARP10
SCHEMBL2391295 0.92 NAMPT (0.58) NAMPTEPHX2SPRHTR2BCYP11B1
SCHEMBL2389570 0.91 SLC6A7 (0.57) NAMPTEPHX2SPRHTR2BPARP14
SCHEMBL2390752 0.87 NAMPT (0.52) NAMPTEPHX2SPRHTR2BPARP14
SCHEMBL2386692 0.87 NAMPT (0.73) NAMPTSPRHTR2BABL1BCR
SCHEMBL2391606 0.86 NAMPT (0.61) NAMPTSPRPARP14PARP10SLC6A7
SCHEMBL2390143 0.86 NAMPT (0.53) NAMPTEPHX2SPRPARP14PARP10
SCHEMBL2390671 0.85 NAMPT (0.60) NAMPTSPRPARP14PARP10ABL1
SCHEMBL2389900 0.85 NAMPT (0.62) NAMPTSPRHTR2BPARP14PARP10
SCHEMBL2391621 0.84 NAMPT (0.57) NAMPTSPRPARP14PARP10ABL1

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 7 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
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 2170/4885EPHX2 154/4885SPR 2765/4885

“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.