SCHEMBL10144936

SCHEMBL10144936

CCOc1ccc(C)nc1C(=O)N1C[C@H](C)CC[C@H]1COc1ccc(C(F)(F)F)cn1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 12/20 0.64
HCRTR2 O43614 12/20 0.64

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
SCHEMBL10144933 0.90 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL7862854 0.88 HCRTR2 (0.64) HCRTR1HCRTR2
SCHEMBL611060 0.88 HCRTR2 (0.64) HCRTR1HCRTR2
SCHEMBL10121671 0.88 HCRTR2 (0.64) HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL609560 0.88 HCRTR2 (0.64) HCRTR1HCRTR2
SCHEMBL9896979 0.85 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL609382 0.83 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL706969 0.83 HCRTR1 (0.57) HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL609050 0.82 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL21891394 0.80 HCRTR2 (0.62) 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 HCRTR1 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.