SCHEMBL6993144

SCHEMBL6993144

O=C(c1nc2ccc(OC(F)(F)F)cc2nc1O)N1CCC[C@H]1Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.52
HRH3 Q9Y5N1 3/20 0.45
HCRTR1 O43613 10/20 0.42
HCRTR2 O43614 10/20 0.42
NAMPT P43490 1/20 0.39
EPHX2 P34913 1/20 0.37
SCN9A Q15858 2/20 0.37
SCD5 Q86SK9 1/20 0.36
PREP P48147 1/20 0.36

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
SCHEMBL6991575 0.92 FABP4 (0.48) FABP4HRH3HCRTR1HCRTR2NAMPT
SCHEMBL6990320 0.92 FABP4 (0.48) FABP4HRH3HCRTR1HCRTR2NAMPT
SCHEMBL6987800 0.86 FABP4 (0.54) FABP4HRH3HCRTR1HCRTR2NAMPT
SCHEMBL6987822 0.84 FABP4 (0.52) FABP4HRH3HCRTR1HCRTR2NAMPT
SCHEMBL3700088 0.84 FABP4 (0.67) FABP4HCRTR1HCRTR2NAMPTSCD5
SCHEMBL3700092 0.84 FABP4 (0.67) FABP4HCRTR1HCRTR2NAMPTSCD5
SCHEMBL6989837 0.83 FABP4 (0.58) FABP4HRH3HCRTR1HCRTR2NAMPT
SCHEMBL6991732 0.83 FABP4 (0.62) FABP4HRH3HCRTR1HCRTR2NAMPT
SCHEMBL6990923 0.81 HCRTR1 (0.53) FABP4HCRTR1HCRTR2
SCHEMBL6991508 0.81 HCRTR1 (0.53) FABP4HCRTR1HCRTR2

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 FABP4 1/4885HRH3 4807/4885HCRTR1 4346/4885

“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.