SCHEMBL6987416

SCHEMBL6987416

O=C(c1nc2ccccc2nc1O)N1CCCC1Cc1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.43
DPP4 P27487 8/20 0.43
HCRTR1 O43613 3/20 0.43
HCRTR2 O43614 3/20 0.43
RAB9A P51151 2/20 0.43
TSPO P30536 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
NPC1 O15118 1/20 0.43
NAMPT P43490 1/20 0.40
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
FAP Q12884 1/20 0.39
SCD5 Q86SK9 1/20 0.39
MET P08581 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
DPP7 Q9UHL4 1/20 0.38

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
SCHEMBL6989618 0.87 FABP4 (0.52) FABP4HCRTR1HCRTR2SCD5MET
SCHEMBL6988824 0.86 FABP4 (0.45) FABP4DPP4HCRTR1HCRTR2SCD5
SCHEMBL6989529 0.84 NAMPT (0.50) FABP4HCRTR1HCRTR2NAMPTSCD5
SCHEMBL6988203 0.84 FABP4 (0.51) FABP4HCRTR1HCRTR2RAB9ATSPO
SCHEMBL6988159 0.84 HCRTR1 (0.51) FABP4HCRTR1HCRTR2
SCHEMBL6989539 0.84 SCD5 (0.55) FABP4HCRTR1HCRTR2NAMPTSCD5
SCHEMBL6988101 0.82 FABP4 (0.50) FABP4HCRTR1HCRTR2NAMPTSCD5
SCHEMBL6989168 0.81 DAGLA (0.48) FABP4DPP4HCRTR1HCRTR2NAMPT
SCHEMBL6989054 0.81 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL6989978 0.81 SCD5 (0.51) FABP4DPP4HCRTR1HCRTR2RAB9A

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 1/4885DPP4 152/4885HCRTR1 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.