SCHEMBL6990510

SCHEMBL6990510

O=C(c1nc2cccc(Cl)c2nc1O)N1CCCC1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.56
HCRTR2 O43614 13/20 0.56
FABP4 P15090 1/20 0.55
HRH3 Q9Y5N1 1/20 0.41
OPRK1 P41145 3/20 0.40
CYP3A4 P08684 2/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
NFKB1 P19838 1/20 0.40
CYP2C19 P33261 1/20 0.40
OPRD1 P41143 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40

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
SCHEMBL6987893 0.91 FABP4 (0.60) HCRTR1HCRTR2FABP4CYP3A4
SCHEMBL6985500 0.90 HCRTR1 (0.54) HCRTR1HCRTR2FABP4
SCHEMBL6991726 0.90 FABP4 (0.68) HCRTR1HCRTR2FABP4CYP3A4
SCHEMBL21966582 0.90 FABP4 (0.68) HCRTR1HCRTR2FABP4CYP3A4
SCHEMBL6989234 0.89 HCRTR1 (0.58) HCRTR1HCRTR2FABP4HRH3OPRK1
SCHEMBL6989874 0.89 FABP4 (0.54) HCRTR1HCRTR2FABP4CYP3A4
SCHEMBL6988483 0.88 FABP4 (0.58) HCRTR1HCRTR2FABP4CYP3A4
SCHEMBL16248407 0.85 FABP4 (0.61) HCRTR1HCRTR2FABP4CYP3A4
SCHEMBL6987923 0.82 FABP4 (0.58) HCRTR1HCRTR2FABP4CYP3A4
SCHEMBL6987712 0.81 FABP4 (0.54) HCRTR1HCRTR2FABP4CYP3A4

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.