SCHEMBL10144962

SCHEMBL10144962

C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](COc2cnc(C(F)(F)F)cn2)C1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.39
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
GPR119 Q8TDV5 3/20 0.36
LIPE Q05469 1/20 0.35

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 0.83 GPR119 (0.36) ALOX5APFEN1GPR119LIPE
SCHEMBL610838 0.83 HCRTR1 (0.38) HCRTR1GPR119
SCHEMBL609826 0.83 HCRTR1 (0.38) HCRTR1GPR119
SCHEMBL10145425 0.83 GPR119 (0.36) ALOX5APFEN1GPR119LIPE
SCHEMBL297790 0.82 HCRTR1 (0.39) HCRTR1
SCHEMBL10144795 0.81 SYK (0.41) HCRTR1ALOX5APFEN1GPR119LIPE
SCHEMBL7870010 0.79 HCRTR1 (0.37) HCRTR1ALOX5APFEN1GPR119
SCHEMBL10145372 0.76 ALDH1A1 (0.41) HCRTR1ALOX5APFEN1GPR119
SCHEMBL10145584 0.76 GRM5 (0.36) ALOX5APFEN1
SCHEMBL10144797 0.75 HCRTR1 (0.57) HCRTR1

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 HCRTR1 2/4885ALOX5AP 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.