SCHEMBL6986716

SCHEMBL6986716

O=C(c1nc2ccccc2nc1O)N1CCCC1COc1ccc(F)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.44
CHRNB1 P11230 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNB3 Q05901 1/20 0.44
HCRTR1 O43613 6/20 0.43
HCRTR2 O43614 5/20 0.42
GRM2 Q14416 3/20 0.40
LTA4H P09960 1/20 0.39
CHRM3 P20309 1/20 0.39
ALOX5AP P20292 1/20 0.39
ABHD6 Q9BV23 1/20 0.38
DAGLA Q9Y4D2 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
SCHEMBL6985857 0.86 HCRTR1 (0.51) HCRTR1HCRTR2ABHD6DAGLA
SCHEMBL3692443 0.85 FABP4 (0.43) FABP4CHRNB2CHRNB4CHRNA3HCRTR1
SCHEMBL3703633 0.78 RAB9A (0.48) FABP4
SCHEMBL3703636 0.78 RAB9A (0.48) FABP4
SCHEMBL6992853 0.77 FABP4 (0.43) FABP4HCRTR1HCRTR2LTA4HABHD6
SCHEMBL6988203 0.77 FABP4 (0.51) FABP4HCRTR1HCRTR2
SCHEMBL3700088 0.76 FABP4 (0.67) FABP4HCRTR1HCRTR2
SCHEMBL3700092 0.76 FABP4 (0.67) FABP4HCRTR1HCRTR2
SCHEMBL6989618 0.75 FABP4 (0.52) FABP4HCRTR1HCRTR2
SCHEMBL6987416 0.75 FABP4 (0.43) FABP4HCRTR1HCRTR2

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 1/4885CHRNB1 4656/4885CHRNB2 4796/4885

“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.