SCHEMBL6988396

SCHEMBL6988396

O=C(c1nc2ccccc2nc1O)N1CCCCC1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.47
HCRTR1 O43613 3/20 0.46
HCRTR2 O43614 3/20 0.46
CYP3A4 P08684 3/20 0.46
FABP4 P15090 1/20 0.45
ABHD6 Q9BV23 3/20 0.44
DAGLA Q9Y4D2 3/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
TACR1 P25103 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SCD5 Q86SK9 1/20 0.41

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
SCHEMBL6989064 0.92 FABP4 (0.47) HRH3HCRTR1HCRTR2CYP3A4FABP4
SCHEMBL6986058 0.87 HCRTR1 (0.48) HCRTR1HCRTR2CYP3A4FABP4ABHD6
SCHEMBL6989978 0.86 SCD5 (0.51) HCRTR1HCRTR2CYP3A4FABP4ABHD6
SCHEMBL6990522 0.85 NAMPT (0.47) HRH3HCRTR1HCRTR2CYP3A4FABP4
SCHEMBL3699134 0.85 FABP4 (0.56) HCRTR1HCRTR2CYP3A4FABP4TACR1
SCHEMBL6986822 0.85 HCRTR1 (0.52) HCRTR1HCRTR2CYP3A4FABP4
SCHEMBL3699136 0.85 FABP4 (0.56) HCRTR1HCRTR2CYP3A4FABP4TACR1
SCHEMBL3702050 0.85 FABP4 (0.56) HCRTR1HCRTR2CYP3A4FABP4TACR1
SCHEMBL6994342 0.84 FABP4 (0.50) HRH3HCRTR1HCRTR2CYP3A4FABP4
SCHEMBL6989348 0.84 HCRTR1 (0.51) HCRTR1HCRTR2CYP3A4FABP4

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 HRH3 4807/4885HCRTR1 4346/4885HCRTR2 3592/4885

“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.