SCHEMBL3081958

SCHEMBL3081958

Cc1ccc(-n2nccn2)c(C(=O)N2C3CCN(c4ccc5ccccc5n4)CC2COC3)c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.55
HCRTR2 O43614 19/20 0.55
CYP3A4 P08684 1/20 0.46

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
SCHEMBL3085383 0.83 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL3093210 0.80 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL4319632 0.80 HCRTR1 (0.80) HCRTR1HCRTR2
SCHEMBL3084479 0.79 HCRTR1 (0.76) HCRTR1HCRTR2
SCHEMBL3095517 0.78 HCRTR2 (0.69) HCRTR1HCRTR2
SCHEMBL4307362 0.78 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL13703858 0.71 HCRTR2 (0.61) HCRTR1HCRTR2
SCHEMBL4310855 0.71 HCRTR1 (0.80) HCRTR1HCRTR2
SCHEMBL20827789 0.71 HCRTR1 (0.80) HCRTR1HCRTR2
SCHEMBL3086637 0.71 HCRTR1 (0.65) 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
US-8263586-B2 OXO bridged diazepan orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2012-09-11 US claimed
US-20100227848-A1 OXO BRIDGED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-09-09 US claimed
US-8263586-B2 OXO bridged diazepan orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2012-09-11 US disclosed
US-8263586-B2 OXO bridged diazepan orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2012-09-11 US disclosed
US-8263586-B2 OXO bridged diazepan orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2012-09-11 US disclosed
US-20100227848-A1 OXO BRIDGED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-09-09 US disclosed
US-20100227848-A1 OXO BRIDGED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-09-09 US disclosed
US-20100227848-A1 OXO BRIDGED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-09-09 US disclosed
WO-2008143856-A1 OXO BRIDGED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-11-27 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-20100227848-A1 OXO BRIDGED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885CYP3A4 2926/4885

“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.