SCHEMBL3083973

SCHEMBL3083973

CCOC(COCC(OC)OC)OCC

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL17807890 0.95 THRB (0.36) THRBLMNA
SCHEMBL854693 0.89 THRB (0.44) THRBLMNA
SCHEMBL3985906 0.84 THRB (0.36) THRBLMNA
SCHEMBL322218 0.83
SCHEMBL2921585 0.80
SCHEMBL277640 0.80 THRB (0.42) THRBLMNA
SCHEMBL314741 0.78 THRB (0.32) THRBLMNA
Ammonia Solution, Strong SCHEMBL29215255 0.78
SCHEMBL11760550 0.78 THRB (0.40) THRBLMNA
SCHEMBL5694826 0.76

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 7 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 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 THRB 569/4885LMNA 3907/4885

“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.