SCHEMBL609531

SCHEMBL609531

Cc1ccc(-c2ccccc2)c(C(=O)N2C[C@@H]3C[C@@H]3C[C@H]2COc2ccc(C(F)(F)F)nn2)n1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 11/20 0.52
HCRTR1 O43613 14/20 0.50
CYP3A4 P08684 1/20 0.44

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
SCHEMBL7868917 1.00 HCRTR2 (0.52) HCRTR2HCRTR1CYP3A4
SCHEMBL609329 0.90 HCRTR2 (0.64) HCRTR2HCRTR1
SCHEMBL7869499 0.87 CYP3A4 (0.54) HCRTR2HCRTR1CYP3A4
SCHEMBL610097 0.87 CYP3A4 (0.54) HCRTR2HCRTR1CYP3A4
SCHEMBL607593 0.87 HCRTR2 (0.50) HCRTR2HCRTR1
SCHEMBL7869493 0.87 HCRTR2 (0.50) HCRTR2HCRTR1
SCHEMBL611279 0.84 CYP3A4 (0.52) HCRTR2HCRTR1CYP3A4
SCHEMBL7869957 0.83 HCRTR1 (0.45) HCRTR2HCRTR1CYP3A4
SCHEMBL609528 0.83 HCRTR1 (0.45) HCRTR2HCRTR1CYP3A4
SCHEMBL7861581 0.81 HCRTR1 (0.42) HCRTR2HCRTR1CYP3A4

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 claimed
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

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 HCRTR2 1/4885HCRTR1 2/4885CYP3A4 862/4885

“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.