SCHEMBL6992252

SCHEMBL6992252

O=C(c1nc2ccccc2nc1O)N1CCCC1Cc1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.43
GRM5 P41594 1/20 0.42
GRM1 Q13255 1/20 0.42
HCRTR2 O43614 8/20 0.42
HCRTR1 O43613 5/20 0.42
DPP4 P27487 1/20 0.41
JAK1 P23458 4/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SCD5 Q86SK9 1/20 0.39
CYP3A4 P08684 1/20 0.39
JAK2 O60674 1/20 0.39
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CCKAR P32238 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
SCHEMBL6989431 0.85 HCRTR2 (0.44) GRM5GRM1HCRTR2HCRTR1DPP4
SCHEMBL6985742 0.85 FABP4 (0.44) FABP4HCRTR2HCRTR1SCD5
SCHEMBL6989539 0.84 SCD5 (0.55) FABP4HCRTR2HCRTR1SCD5CYP3A4
SCHEMBL21078209 0.81 KDM4E (0.47) HCRTR2HCRTR1DPP4JAK1KDM4E
SCHEMBL6989978 0.81 SCD5 (0.51) FABP4HCRTR2HCRTR1DPP4SCD5
SCHEMBL6988342 0.81 NAMPT (0.58) FABP4HCRTR2HCRTR1KDM4ESCD5
SCHEMBL6989618 0.80 FABP4 (0.52) FABP4HCRTR2HCRTR1SCD5CYP3A4
SCHEMBL6989529 0.80 NAMPT (0.50) FABP4HCRTR2HCRTR1SCD5
SCHEMBL6989556 0.80 HCRTR1 (0.48) FABP4HCRTR2HCRTR1SCD5CYP3A4
SCHEMBL6987416 0.80 FABP4 (0.43) FABP4HCRTR2HCRTR1DPP4SCD5

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 1/4885GRM5 1614/4885GRM1 2245/4885

“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.