SCHEMBL2495394

SCHEMBL2495394

Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H]3C[C@H]3[C@H]2CNc2cnc3ccccc3n2)c1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.61
HCRTR2 O43614 16/20 0.61

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
SCHEMBL2501002 1.00 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL2502197 0.91 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL2494064 0.91 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL2494454 0.86 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL2494268 0.86 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL2518898 0.84 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL2497343 0.84 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL2503733 0.84 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL2500315 0.84 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL2495460 0.83 HCRTR1 (0.56) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150115-B1 CYCLOPROPYL PYRROLIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-09-18 EP disclosed
EP-2150115-B1 CYCLOPROPYL PYRROLIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-09-18 EP disclosed
US-8030495-B2 Cyclopropyl pyrrolidine orexin receptor antagonists MERCK SHARP & DOHME CORP. 2011-10-04 US disclosed
US-8030495-B2 Cyclopropyl pyrrolidine orexin receptor antagonists MERCK SHARP & DOHME CORP. 2011-10-04 US disclosed
US-8030495-B2 Cyclopropyl pyrrolidine orexin receptor antagonists MERCK SHARP & DOHME CORP. 2011-10-04 US disclosed
US-20100152191-A1 CYCLOPROPYL PYRROLIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2010-06-17 US disclosed
US-20100152191-A1 CYCLOPROPYL PYRROLIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2010-06-17 US disclosed
US-20100152191-A1 CYCLOPROPYL PYRROLIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2010-06-17 US disclosed
WO-2008150364-A1 CYCLOPROPYL PYRROLIDINE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-12-11 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-20100152191-A1 CYCLOPROPYL PYRROLIDINE OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, OXTR HCRTR1 1/4885HCRTR2 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.