SCHEMBL6989168

SCHEMBL6989168

O=C(c1nc2ccccc2nc1O)N1CCCCC1Cc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 4/20 0.48
ABHD6 Q9BV23 2/20 0.48
NAMPT P43490 1/20 0.47
HCRTR1 O43613 5/20 0.46
HCRTR2 O43614 5/20 0.46
FABP4 P15090 1/20 0.45
SCD5 Q86SK9 1/20 0.43
TP53 P04637 1/20 0.42
DPP4 P27487 1/20 0.42
PRKAA2 P54646 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6989529 0.97 NAMPT (0.50) DAGLAABHD6NAMPTHCRTR1HCRTR2
SCHEMBL6989978 0.91 SCD5 (0.51) DAGLAABHD6HCRTR1HCRTR2FABP4
SCHEMBL6986058 0.89 HCRTR1 (0.48) DAGLAABHD6NAMPTHCRTR1HCRTR2
SCHEMBL6989187 0.88 FABP4 (0.51) DAGLAABHD6HCRTR1HCRTR2FABP4
SCHEMBL6989539 0.88 SCD5 (0.55) DAGLAABHD6NAMPTHCRTR1HCRTR2
SCHEMBL6986064 0.86 HCRTR1 (0.51) DAGLAABHD6HCRTR1HCRTR2FABP4
SCHEMBL6989556 0.86 HCRTR1 (0.48) HCRTR1HCRTR2FABP4SCD5
SCHEMBL6988505 0.85 FABP4 (0.50) DAGLAABHD6NAMPTHCRTR1HCRTR2
SCHEMBL6988101 0.85 FABP4 (0.50) NAMPTHCRTR1HCRTR2FABP4SCD5
SCHEMBL6989268 0.83 HCRTR1 (0.52) HCRTR1HCRTR2

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 DAGLA 364/4885ABHD6 164/4885NAMPT 690/4885

“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.