SCHEMBL19741881

SCHEMBL19741881

Cc1oc(N2C[C@H]3CNC[C@H]3C2)nc1CC(C)O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE8B O95263 3/20 0.33
▸ CHRNA4 P43681 7/20 0.32
▸ CHRNB2 P17787 2/20 0.32
▸ CHRNB4 P30926 2/20 0.32
▸ CHRNA3 P32297 2/20 0.32
▸ CHRNA7 P36544 2/20 0.32
▸ HCRTR1 O43613 3/20 0.30
▸ HCRTR2 O43614 3/20 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
SCHEMBL17859202 0.71 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL29228732 0.60 — —
SCHEMBL6923786 0.59 HCRTR1 (0.52) CHRNA7HCRTR1HCRTR2
SCHEMBL27055548 0.58 CHRNA7 (0.42) CHRNA4CHRNB2CHRNA7
SCHEMBL24192089 0.57 BPTF (0.40) CHRNA4CHRNB2CHRNA7HCRTR1HCRTR2
SCHEMBL6925544 0.57 BPTF (0.40) CHRNA4CHRNB2CHRNA7HCRTR1HCRTR2
SCHEMBL1670922 0.56 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL20510363 0.56 BPTF (0.52) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL21963537 0.56 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL29117985 0.56 HCRTR1 (0.51) 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 PDE8B 2196/4885CHRNA4 99/4885CHRNB2 289/4885

“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.

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