SCHEMBL10144795

SCHEMBL10144795

C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](COc2cc(C(F)(F)F)ccn2)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.41
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
GPR119 Q8TDV5 2/20 0.37
LIPE Q05469 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
MGLL Q99685 1/20 0.36
ACKR3 P25106 1/20 0.36
USP30 Q70CQ3 1/20 0.36

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
SCHEMBL10145372 0.87 ALDH1A1 (0.41) HCRTR1HCRTR2GPR119ALOX5APFEN1
SCHEMBL7869396 0.83 CNR1 (0.38) SYKHCRTR1HCRTR2GPR119
SCHEMBL10144799 0.83 GPR119 (0.36) SYKGPR119LIPEALOX5APFEN1
SCHEMBL10145425 0.82 GPR119 (0.36) GPR119LIPEALOX5APFEN1
SCHEMBL10144962 0.81 HCRTR1 (0.39) HCRTR1GPR119LIPEALOX5APFEN1
SCHEMBL27158490 0.80 GPR119 (0.51) SYKGPR119LIPEALOX5APFEN1
SCHEMBL10144964 0.79 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL10145376 0.78 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL10145584 0.77 GRM5 (0.36) ALOX5APFEN1USP30
SCHEMBL10145340 0.77 HCRTR1 (0.52) HCRTR1HCRTR2

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 SYK 4413/4885HCRTR1 2/4885HCRTR2 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.