SCHEMBL609989

SCHEMBL609989

CC(C)(C)OC(=O)N1C[C@H]2C[C@H]2C[C@H]1COc1cc(I)c(C(F)(F)F)cn1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.36
AR P10275 3/20 0.35
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
PIK3CA P42336 1/20 0.32
ALK Q9UM73 2/20 0.32
NR1H2 P55055 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
SRC P12931 4/20 0.31
CETP P11597 1/20 0.30

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
SCHEMBL611454 0.90 GPR119 (0.37) GPR119ARABL1BCRPIK3CA
SCHEMBL10145425 0.84 GPR119 (0.36) GPR119ARPIK3CAALKALOX5AP
SCHEMBL610838 0.82 HCRTR1 (0.38) GPR119NR1H2
SCHEMBL609826 0.82 HCRTR1 (0.38) GPR119NR1H2
SCHEMBL10121579 0.82 HCRTR1 (0.42)
SCHEMBL7869396 0.82 CNR1 (0.38) GPR119CETP
SCHEMBL7859303 0.77 ALDH1A1 (0.38) GPR119NR1H2SRC
SCHEMBL609058 0.75 NR1H2 (0.34) NR1H2SRC
SCHEMBL10144799 0.74 GPR119 (0.36) GPR119ARPIK3CAALOX5APFEN1
SCHEMBL608281 0.73 NR1H2 (0.36) GPR119NR1H2SRC

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 GPR119 17/4885AR 1539/4885ABL1 4796/4885

“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.