SCHEMBL3102096

SCHEMBL3102096

Cc1ccc(-n2nccn2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)C(C)C(C)C2)c1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.49
HCRTR2 O43614 14/20 0.49

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
SCHEMBL9956489 0.83 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL17539230 0.83 HCRTR2 (0.56) HCRTR1HCRTR2
SCHEMBL17539260 0.83 HCRTR2 (0.56) HCRTR1HCRTR2
SCHEMBL8209215 0.82 HCRTR2 (0.59) HCRTR1HCRTR2
SCHEMBL14843881 0.80 HCRTR2 (0.55) HCRTR1HCRTR2
SCHEMBL13703423 0.80 HCRTR2 (0.56) HCRTR1HCRTR2
SCHEMBL2905303 0.80 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL13789995 0.80 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2904616 0.80 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL21612202 0.79 HCRTR2 (0.47) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362009-B2 Substituted diazepan orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-01-29 US disclosed
US-8362009-B2 Substituted diazepan orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-01-29 US disclosed
EP-2214676-B1 SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-11-21 EP disclosed
US-20100256121-A1 SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
US-20100256121-A1 SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-10-07 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-20100256121-A1 SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR 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.