SCHEMBL609578

SCHEMBL609578

CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CCOc1ccc(F)cn1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
HCRTR2 O43614 3/20 0.35
HCRTR1 O43613 2/20 0.35
GPR119 Q8TDV5 3/20 0.34
NTRK1 P04629 2/20 0.34

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
SCHEMBL7870350 1.00 ALOX5AP (0.35) ALOX5APFEN1HCRTR2HCRTR1GPR119
SCHEMBL9918108 0.86 ALOX5AP (0.37) ALOX5APFEN1HCRTR2HCRTR1
SCHEMBL10144794 0.83 ALOX5AP (0.40) ALOX5APFEN1HCRTR2HCRTR1GPR119
SCHEMBL611452 0.78 CHRNB2 (0.43) GPR119
SCHEMBL10121579 0.78 HCRTR1 (0.42) HCRTR2HCRTR1
SCHEMBL610811 0.77 HCRTR2 (0.44) HCRTR2HCRTR1
SCHEMBL10121883 0.77 HCRTR2 (0.44) HCRTR2HCRTR1
SCHEMBL608492 0.75 NR1H2 (0.49)
SCHEMBL10145418 0.75 NR1H2 (0.49)
SCHEMBL610842 0.75 NR1H2 (0.49)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-02-16 US disclosed
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-02-16 US disclosed
WO-2010122151-A1 3 -AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-10-28 WO 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-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPY2R ALOX5AP 624/4885FEN1 4834/4885HCRTR2 1/4885

“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.