SCHEMBL10145425

SCHEMBL10145425

C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](COc2cc(I)c(C(F)(F)F)cn2)C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
LIPE Q05469 1/20 0.33
ALK Q9UM73 2/20 0.33
WNT3 P56703 2/20 0.33
SFRP1 Q8N474 2/20 0.33
PIK3CA P42336 1/20 0.33
EPHX2 P34913 1/20 0.33
AR P10275 2/20 0.33
SSTR4 P31391 1/20 0.32

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
SCHEMBL10144799 0.90 GPR119 (0.36) GPR119ALOX5APFEN1LIPEWNT3
SCHEMBL609989 0.84 GPR119 (0.36) GPR119ALOX5APFEN1ALKPIK3CA
SCHEMBL10144962 0.83 HCRTR1 (0.39) GPR119ALOX5APFEN1LIPE
SCHEMBL10144795 0.82 SYK (0.41) GPR119ALOX5APFEN1LIPE
SCHEMBL10145372 0.77 ALDH1A1 (0.41) GPR119ALOX5APFEN1
SCHEMBL10145584 0.75 GRM5 (0.36) ALOX5APFEN1
SCHEMBL611454 0.74 GPR119 (0.37) GPR119ALOX5APFEN1PIK3CAAR
SCHEMBL10145590 0.73 CHRNA3 (0.37) GPR119ALOX5APFEN1
SCHEMBL10144794 0.70 ALOX5AP (0.40) GPR119ALOX5APFEN1
SCHEMBL297790 0.70 HCRTR1 (0.39)

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 1 patent. 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

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 17/4885ALOX5AP 624/4885FEN1 4834/4885

“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.