SCHEMBL3083446

SCHEMBL3083446

Cc1ccc(-n2nccn2)c(C(=O)N2CC3COCC2CN(c2nccc(-c4ccccc4)n2)C3)c1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.68
HCRTR2 O43614 20/20 0.68
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
SCHEMBL3093210 0.85 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL3081804 0.84 HCRTR2 (0.69) HCRTR1HCRTR2
SCHEMBL6924756 0.81 HCRTR2 (1.00) HCRTR1HCRTR2
SCHEMBL12337043 0.78 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL4308253 0.76 HCRTR2 (0.73) HCRTR1HCRTR2
SCHEMBL12337680 0.74 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL6899415 0.74 HCRTR2 (1.00) HCRTR1HCRTR2
SCHEMBL1671158 0.70 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4306752 0.69 HCRTR2 (0.88) HCRTR1HCRTR2
SCHEMBL4321503 0.69 HCRTR2 (0.88) 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 12 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
EP-2150114-A1 OXO BRIDGED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2010-02-10 EP claimed
WO-2008143856-A1 OXO BRIDGED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-11-27 WO claimed
US-10894042-B2 Methods and pharmaceutical compositions for the treatment of cancer Inserm (Institut National de la Santa et de la Recherche Medicale) (FR) 2021-01-19 US disclosed
US-20190151304-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATORY INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2019-05-23 US disclosed
US-20190083508-A1 USE OF OX1R ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2019-03-21 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
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 (4 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-20190151304-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATORY HCRTR1, HCRTR2, OXTR HCRTR1 1/4885HCRTR2 2/4885CYP3A4 3942/4885
US-10894042-B2 Methods and pharmaceutical compositions for the treatment of cancer OXTR, OGFR, OXGR1 HCRTR1 18/4885HCRTR2 14/4885CYP3A4 2021/4885
US-20100227848-A1 OXO BRIDGED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885CYP3A4 2926/4885
US-20190083508-A1 USE OF OX1R ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASES GPR180, OXGR1, MLNR HCRTR1 22/4885HCRTR2 17/4885CYP3A4 2973/4885

“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.