SCHEMBL6989539

SCHEMBL6989539

O=C(c1nc2ccccc2nc1O)N1CCCC1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 2/20 0.55
FABP4 P15090 1/20 0.51
HCRTR1 O43613 4/20 0.46
HCRTR2 O43614 4/20 0.46
CYP3A4 P08684 2/20 0.46
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
ROCK2 O75116 1/20 0.46
DAGLA Q9Y4D2 8/20 0.45
ABHD6 Q9BV23 7/20 0.45
HSD11B1 P28845 1/20 0.45
CTSD P07339 1/20 0.44
NAMPT P43490 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
SCHEMBL6989978 0.96 SCD5 (0.51) SCD5FABP4HCRTR1HCRTR2CYP3A4
SCHEMBL6987127 0.93 SCD5 (0.46) SCD5FABP4
SCHEMBL6989529 0.91 NAMPT (0.50) SCD5FABP4HCRTR1HCRTR2DAGLA
SCHEMBL6989556 0.91 HCRTR1 (0.48) SCD5FABP4HCRTR1HCRTR2CYP3A4
SCHEMBL6988342 0.89 NAMPT (0.58) SCD5FABP4HCRTR1HCRTR2CYP3A4
SCHEMBL3693140 0.88 FABP4 (0.59) SCD5FABP4HCRTR1HCRTR2CYP3A4
SCHEMBL6988101 0.88 FABP4 (0.50) SCD5FABP4HCRTR1HCRTR2CYP3A4
SCHEMBL3693103 0.88 FABP4 (0.59) SCD5FABP4HCRTR1HCRTR2CYP3A4
SCHEMBL3693099 0.88 FABP4 (0.59) SCD5FABP4HCRTR1HCRTR2CYP3A4
SCHEMBL3700088 0.88 FABP4 (0.67) SCD5FABP4HCRTR1HCRTR2CYP3A4

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 SCD5 40/4885FABP4 1/4885HCRTR1 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.