SCHEMBL6988095

SCHEMBL6988095

CC(C)CC1CCCN1C(=O)c1nc2ccccc2nc1O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.41
ADORA2B P29275 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
SCN9A Q15858 1/20 0.38
HCRTR1 O43613 6/20 0.38
HCRTR2 O43614 5/20 0.38
AKR1C3 P42330 1/20 0.37
TP53 P04637 2/20 0.37
SCD5 Q86SK9 1/20 0.36
SLC6A9 P48067 1/20 0.36

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
SCHEMBL3703636 0.83 RAB9A (0.48) FABP4
SCHEMBL6986701 0.83 FABP4 (0.41) FABP4HRH3HCRTR1HCRTR2AKR1C3
SCHEMBL3703633 0.83 RAB9A (0.48) FABP4
SCHEMBL6989539 0.82 SCD5 (0.55) FABP4HCRTR1HCRTR2SCD5
SCHEMBL6985885 0.81 HRH3 (0.56) HRH3
SCHEMBL6985880 0.81 FABP4 (0.41) FABP4HRH3HCRTR1HCRTR2AKR1C3
SCHEMBL6989556 0.81 HCRTR1 (0.48) FABP4HCRTR1HCRTR2SCD5
SCHEMBL6988085 0.80 HPGD (0.50) ADORA2BTP53
SCHEMBL3696853 0.79 HCRTR1 (0.42) FABP4HCRTR1HCRTR2SCD5
SCHEMBL3701793 0.79 HCRTR1 (0.42) FABP4HCRTR1HCRTR2SCD5

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 1/4885ADORA2B 3786/4885HRH3 4807/4885

“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.