SCHEMBL610582

SCHEMBL610582

Fc1ccc(OCC[C@@H]2C[C@@H]3C[C@@H]3CN2)nc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.34
CHRNA4 P43681 5/20 0.34
TDO2 P48775 1/20 0.32
ELOVL1 Q9BW60 1/20 0.32
HCRTR2 O43614 3/20 0.30
HCRTR1 O43613 2/20 0.30
GRM5 P41594 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
SCHEMBL10144793 1.00 CHRNB2 (0.34) CHRNB2CHRNA4TDO2ELOVL1HCRTR2
SCHEMBL609606 1.00 CHRNB2 (0.34) CHRNB2CHRNA4TDO2ELOVL1HCRTR2
SCHEMBL608698 0.84 HPGD (0.36)
SCHEMBL9895397 0.78 LNPEP (0.34) TDO2HCRTR2
SCHEMBL608679 0.71 CHRNB2 (0.53) CHRNB2CHRNA4
SCHEMBL10121582 0.70 HPGD (0.38) CHRNB2CHRNA4HCRTR2HCRTR1
SCHEMBL29104585 0.68 HRH3 (0.37) ELOVL1
SCHEMBL19241779 0.65 HCRTR2 (0.40) HCRTR2HCRTR1
SCHEMBL15140101 0.65 KDM4E (0.47) TDO2ELOVL1GRM5
SCHEMBL16906756 0.65 ELOVL1 (0.42) TDO2ELOVL1GRM5

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 CHRNB2 120/4885CHRNA4 69/4885TDO2 1688/4885

“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.