SCHEMBL6985857

SCHEMBL6985857

O=C(c1nc2ccccc2nc1O)N1CCCC1COc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.51
HCRTR2 O43614 7/20 0.51
ABHD6 Q9BV23 4/20 0.49
DAGLA Q9Y4D2 4/20 0.49
NR1D1 P20393 1/20 0.43
PPARG P37231 1/20 0.41
KMT2A Q03164 1/20 0.41
NAMPT P43490 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
SCHEMBL6986716 0.86 FABP4 (0.44) HCRTR1HCRTR2ABHD6DAGLA
SCHEMBL6989529 0.84 NAMPT (0.50) HCRTR1HCRTR2ABHD6DAGLANAMPT
SCHEMBL3703636 0.82 RAB9A (0.48) KMT2A
SCHEMBL3703633 0.82 RAB9A (0.48) KMT2A
SCHEMBL6989168 0.81 DAGLA (0.48) HCRTR1HCRTR2ABHD6DAGLANAMPT
SCHEMBL3692443 0.80 FABP4 (0.43) HCRTR1HCRTR2ABHD6DAGLA
SCHEMBL6987416 0.78 FABP4 (0.43) HCRTR1HCRTR2NAMPT
SCHEMBL6988101 0.77 FABP4 (0.50) HCRTR1HCRTR2NAMPT
SCHEMBL2258523 0.77 ABHD6 (0.54) HCRTR1HCRTR2ABHD6DAGLAKMT2A
SCHEMBL6989539 0.77 SCD5 (0.55) HCRTR1HCRTR2ABHD6DAGLANAMPT

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 3592/4885ABHD6 164/4885

“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.