SCHEMBL17859446

SCHEMBL17859446

C[C@@H]1C[C@H]2CCN[C@H]2CN1C(=O)c1ccccc1-n1nccn1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 19/20 0.56
HCRTR1 O43613 12/20 0.56

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
SCHEMBL19564500 0.86 HCRTR2 (0.51) HCRTR2HCRTR1
SCHEMBL19549823 0.86 HCRTR2 (0.45) HCRTR2HCRTR1
SCHEMBL27030050 0.85 HCRTR2 (0.56) HCRTR2HCRTR1
SCHEMBL30986121 0.85 HCRTR2 (0.56) HCRTR2HCRTR1
SCHEMBL17847215 0.82 HCRTR2 (0.60) HCRTR2HCRTR1
SCHEMBL19565854 0.82 HCRTR2 (0.60) HCRTR2HCRTR1
SCHEMBL17842637 0.79 HCRTR2 (0.59) HCRTR2HCRTR1
SCHEMBL2291824 0.79 HCRTR2 (0.65) HCRTR2HCRTR1
SCHEMBL7915973 0.79 HCRTR2 (0.65) HCRTR2HCRTR1
SCHEMBL7918180 0.79 HCRTR2 (0.65) HCRTR2HCRTR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938276-B2 6,5-bicyclic octahydropyrrolopyridine orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-04-10 US disclosed
US-9938276-B2 6,5-bicyclic octahydropyrrolopyridine orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-04-10 US disclosed
US-20170320874-A1 6,5-BICYCLIC OCTAHYDROPYRROLOPYRIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-11-09 US disclosed
US-20170320874-A1 6,5-BICYCLIC OCTAHYDROPYRROLOPYRIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-11-09 US disclosed
WO-2016100157-A2 6,5-BICYCLIC OCTAHYDROPYRROLOPYRIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-23 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-20170320874-A1 6,5-BICYCLIC OCTAHYDROPYRROLOPYRIDINE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY5R HCRTR2 1/4885HCRTR1 2/4885

“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.