SCHEMBL6990522

SCHEMBL6990522

O=C(c1nc2ccc(C(F)(F)F)cc2nc1O)N1CCCC1Cc1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.47
HCRTR1 O43613 6/20 0.44
HCRTR2 O43614 6/20 0.44
FABP4 P15090 1/20 0.43
HRH3 Q9Y5N1 7/20 0.43
CYP3A4 P08684 2/20 0.41

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
SCHEMBL6994342 0.90 FABP4 (0.50) NAMPTHCRTR1HCRTR2FABP4HRH3
SCHEMBL6988101 0.89 FABP4 (0.50) NAMPTHCRTR1HCRTR2FABP4CYP3A4
SCHEMBL6988586 0.86 FABP4 (0.52) NAMPTHCRTR1HCRTR2FABP4CYP3A4
SCHEMBL6986058 0.86 HCRTR1 (0.48) NAMPTHCRTR1HCRTR2FABP4CYP3A4
SCHEMBL6993998 0.86 HCRTR1 (0.44) NAMPTHCRTR1HCRTR2FABP4HRH3
SCHEMBL6989430 0.86 HCRTR1 (0.50) NAMPTHCRTR1HCRTR2FABP4HRH3
SCHEMBL6987800 0.85 FABP4 (0.54) NAMPTHCRTR1HCRTR2FABP4HRH3
SCHEMBL6988396 0.85 HRH3 (0.47) HCRTR1HCRTR2FABP4HRH3CYP3A4
SCHEMBL6986378 0.84 FABP4 (0.52) NAMPTHCRTR1HCRTR2FABP4CYP3A4
SCHEMBL6987690 0.84 FABP4 (0.52) NAMPTHCRTR1HCRTR2FABP4CYP3A4

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-8889683-B2 Substituted quinoxalines as inhibitors of fatty acid binding protein MERCK SHARP & DOHME CORP. (US) 2014-11-18 US disclosed
US-8889683-B2 Substituted quinoxalines as inhibitors of fatty acid binding protein MERCK SHARP & DOHME CORP. (US) 2014-11-18 US disclosed
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN MERCK SHARP & DOHME LLC 2012-05-17 US disclosed
US-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN MERCK SHARP & DOHME LLC 2012-05-17 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-20120122837-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN FABP4, FABP1, FABP3 NAMPT 690/4885HCRTR1 4346/4885HCRTR2 3592/4885

“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.