SCHEMBL6989556

SCHEMBL6989556

Cc1ccc(CC2CCCN2C(=O)c2nc3ccccc3nc2O)cc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 18/20 0.48
HCRTR2 O43614 18/20 0.48
FABP4 P15090 1/20 0.48
SCD5 Q86SK9 1/20 0.46
CYP3A4 P08684 1/20 0.44

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
SCHEMBL6989539 0.91 SCD5 (0.55) HCRTR1HCRTR2FABP4SCD5CYP3A4
SCHEMBL6989529 0.89 NAMPT (0.50) HCRTR1HCRTR2FABP4SCD5
SCHEMBL6987973 0.88 HCRTR1 (0.51) HCRTR1HCRTR2FABP4SCD5
SCHEMBL6989978 0.87 SCD5 (0.51) HCRTR1HCRTR2FABP4SCD5CYP3A4
SCHEMBL6987991 0.86 FABP4 (0.49) HCRTR1HCRTR2FABP4SCD5CYP3A4
SCHEMBL6989168 0.86 DAGLA (0.48) HCRTR1HCRTR2FABP4SCD5
SCHEMBL6986822 0.85 HCRTR1 (0.52) HCRTR1HCRTR2FABP4CYP3A4
SCHEMBL6987290 0.85 HCRTR1 (0.48) HCRTR1HCRTR2FABP4SCD5CYP3A4
SCHEMBL6986064 0.85 HCRTR1 (0.51) HCRTR1HCRTR2FABP4
SCHEMBL6989187 0.85 FABP4 (0.51) HCRTR1HCRTR2FABP4SCD5CYP3A4

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 HCRTR1 4346/4885HCRTR2 3592/4885FABP4 1/4885

“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.