SCHEMBL19741948

SCHEMBL19741948

O=C(O)N1CC2CN(C(=O)c3ccccc3-n3nccn3)CC2C1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.65
HCRTR2 O43614 20/20 0.65

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
SCHEMBL6923867 0.85 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL29713617 0.85 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL6901212 0.82 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL17859200 0.81 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL1671090 0.81 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL1671332 0.80 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL18231489 0.80 HCRTR1 (0.80) HCRTR1HCRTR2
SCHEMBL17793825 0.80 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL27029922 0.79 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL29713615 0.79 HCRTR1 (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9987255-B2 5,5-bicyclic oxazole orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-06-05 US disclosed
US-20170368035-A1 5,5-Bicyclic Oxazole Orexin Receptor Antagonists MERCK SHARP & DOHME LLC 2017-12-28 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-20170368035-A1 5,5-Bicyclic Oxazole Orexin Receptor Antagonists HCRTR2, HCRTR1, NPY5R 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.