SCHEMBL7869396

SCHEMBL7869396

CC(C)(C)OC(=O)N1C[C@H]2C[C@H]2C[C@H]1COc1cc(C(F)(F)F)ccn1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
RORC P51449 1/20 0.38
HCRTR2 O43614 4/20 0.37
HCRTR1 O43613 3/20 0.37
EIF2AK4 Q9P2K8 2/20 0.37
TACR1 P25103 6/20 0.36
SYK P43405 1/20 0.36
CETP P11597 1/20 0.35
HSD11B1 P28845 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
SCHEMBL7859303 0.87 ALDH1A1 (0.38) GPR119HCRTR2HCRTR1
SCHEMBL10121579 0.86 HCRTR1 (0.42) HCRTR2HCRTR1HSD11B1
SCHEMBL10144795 0.83 SYK (0.41) GPR119HCRTR2HCRTR1SYK
SCHEMBL611454 0.82 GPR119 (0.37) GPR119EIF2AK4
SCHEMBL609989 0.82 GPR119 (0.36) GPR119CETP
SCHEMBL610838 0.81 HCRTR1 (0.38) GPR119HCRTR2HCRTR1
SCHEMBL609826 0.81 HCRTR1 (0.38) GPR119HCRTR2HCRTR1
SCHEMBL29913023 0.78 JAK3 (0.41) GPR119RORCHCRTR2TACR1SYK
SCHEMBL606976 0.78 HCRTR1 (0.49) HCRTR2HCRTR1
SCHEMBL609058 0.77 NR1H2 (0.34)

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 2 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
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 CNR1 49/4885GPR119 17/4885RORC 198/4885

“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.