SCHEMBL6987712

SCHEMBL6987712

O=C(c1nc2cccc(F)c2nc1O)N1CCCC1Cc1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.54
HCRTR1 O43613 15/20 0.46
HCRTR2 O43614 15/20 0.46
CYP3A4 P08684 3/20 0.41
NAMPT P43490 1/20 0.40
SCD5 Q86SK9 1/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39

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
SCHEMBL6991393 0.94 FABP4 (0.61) FABP4HCRTR1HCRTR2CYP3A4NAMPT
SCHEMBL6987693 0.92 FABP4 (0.51) FABP4HCRTR1HCRTR2CYP3A4NAMPT
SCHEMBL6988120 0.91 FABP4 (0.50) FABP4HCRTR1HCRTR2CYP3A4NAMPT
SCHEMBL6987893 0.91 FABP4 (0.60) FABP4HCRTR1HCRTR2CYP3A4SCD5
SCHEMBL6986372 0.91 FABP4 (0.54) FABP4HCRTR1HCRTR2CYP3A4NAMPT
SCHEMBL3693140 0.90 FABP4 (0.59) FABP4HCRTR1HCRTR2CYP3A4NAMPT
SCHEMBL3693103 0.90 FABP4 (0.59) FABP4HCRTR1HCRTR2CYP3A4NAMPT
SCHEMBL3693099 0.90 FABP4 (0.59) FABP4HCRTR1HCRTR2CYP3A4NAMPT
SCHEMBL16250135 0.89 FABP4 (0.52) FABP4HCRTR1HCRTR2CYP3A4SCD5
SCHEMBL6988568 0.89 FABP4 (0.51) FABP4HCRTR1HCRTR2CYP3A4

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 1/4885HCRTR1 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.