SCHEMBL2336255

SCHEMBL2336255

Cc1ccc(-c2ncco2)c(C(=O)N2CC(COc3ccc(F)cn3)CCCC2C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 9/20 1.00
HCRTR1 O43613 2/20 0.70

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
SCHEMBL1716819 0.95 HCRTR2 (0.91) HCRTR2HCRTR1
SCHEMBL1716879 0.95 HCRTR2 (0.91) HCRTR2HCRTR1
SCHEMBL2342737 0.87 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL2339130 0.85 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL2344101 0.83 HCRTR2 (1.00) HCRTR2HCRTR1
Filorexant SCHEMBL1716786 0.82 HCRTR2 (1.00) HCRTR2HCRTR1
Filorexant SCHEMBL1716633 0.82 HCRTR2 (1.00) HCRTR2HCRTR1
Filorexant SCHEMBL1716875 0.82 HCRTR2 (1.00) HCRTR2HCRTR1
Filorexant SCHEMBL1717116 0.82 HCRTR2 (1.00) HCRTR2HCRTR1
Filorexant SCHEMBL1716783 0.82 HCRTR2 (1.00) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623863-B2 Disubstituted azepan orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-01-07 US claimed
EP-2348846-B1 DISUBSTITUTED AZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-08-28 EP claimed
US-20110207715-A1 Disubstituted Azepan Orexin Receptor Antagonists MERCK SHARP & DOHME LLC 2011-08-25 US claimed
US-8623863-B2 Disubstituted azepan orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-01-07 US disclosed
US-8623863-B2 Disubstituted azepan orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-01-07 US disclosed
US-8623863-B2 Disubstituted azepan orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-01-07 US disclosed
EP-2348846-B1 DISUBSTITUTED AZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-08-28 EP disclosed
EP-2348846-B1 DISUBSTITUTED AZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-08-28 EP disclosed
US-20110207715-A1 Disubstituted Azepan Orexin Receptor Antagonists MERCK SHARP & DOHME LLC 2011-08-25 US disclosed
US-20110207715-A1 Disubstituted Azepan Orexin Receptor Antagonists MERCK SHARP & DOHME LLC 2011-08-25 US disclosed
US-20110207715-A1 Disubstituted Azepan Orexin Receptor Antagonists MERCK SHARP & DOHME LLC 2011-08-25 US disclosed
WO-2010048017-A1 DISUBSTITUTED AZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-04-29 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-20110207715-A1 Disubstituted Azepan Orexin Receptor Antagonists HCRTR2, HCRTR1, OXTR 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.