SCHEMBL6989054

SCHEMBL6989054

COc1ccccc1CC1CCCCN1C(=O)c1nc2ccccc2nc1O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.48
HCRTR2 O43614 9/20 0.48
SMN1; SMN2 Q16637 1/20 0.44
ATM Q13315 2/20 0.43
DAGLA Q9Y4D2 1/20 0.42
TP53 P04637 1/20 0.42
DAGLB Q8NCG7 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
HIF1A Q16665 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SIGMAR1 Q99720 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
SCHEMBL6988159 0.97 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL6986064 0.84 HCRTR1 (0.51) HCRTR1HCRTR2DAGLADAGLB
SCHEMBL6989268 0.83 HCRTR1 (0.52) HCRTR1HCRTR2DAGLB
SCHEMBL6989978 0.82 SCD5 (0.51) HCRTR1HCRTR2DAGLADAGLB
SCHEMBL6987416 0.81 FABP4 (0.43) HCRTR1HCRTR2
SCHEMBL6989618 0.81 FABP4 (0.52) HCRTR1HCRTR2ATMTP53
SCHEMBL6988824 0.80 FABP4 (0.45) HCRTR1HCRTR2ATM
SCHEMBL6989168 0.80 DAGLA (0.48) HCRTR1HCRTR2SMN1; SMN2DAGLATP53
SCHEMBL3703636 0.79 RAB9A (0.48)
SCHEMBL3703633 0.79 RAB9A (0.48)

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 3592/4885SMN1; SMN2 4592/4885

“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.