SCHEMBL4328813

SCHEMBL4328813

Cc1ccc(-n2nccn2)c(C(=O)N2CCCN(c3ncc4ccccc4n3)CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 19/20 1.00
HCRTR1 O43613 18/20 1.00

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
SCHEMBL8218996 0.89 HCRTR2 (0.79) HCRTR2HCRTR1
SCHEMBL20212728 0.84 HCRTR1 (0.72) HCRTR2HCRTR1
SCHEMBL14843926 0.83 HCRTR2 (0.80) HCRTR2HCRTR1
SCHEMBL14844200 0.82 HCRTR2 (0.70) HCRTR2HCRTR1
SCHEMBL4317077 0.81 HCRTR1 (0.73) HCRTR2HCRTR1
SCHEMBL4319632 0.80 HCRTR1 (0.80) HCRTR2HCRTR1
SCHEMBL4310855 0.80 HCRTR1 (0.80) HCRTR2HCRTR1
SCHEMBL20827789 0.80 HCRTR1 (0.80) HCRTR2HCRTR1
SCHEMBL9954752 0.78 HCRTR1 (0.73) HCRTR2HCRTR1
SCHEMBL9955326 0.78 HCRTR1 (0.73) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001485-B1 DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2015-09-09 EP claimed
US-20090124603-A1 Diazepan Orexin Receptor Antagonists MERCK SHARP & DOHME LLC 2009-05-14 US claimed
EP-2001485-A2 DIAZEPAN OREXIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2008-12-17 EP claimed
WO-2007126935-A2 DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-11-08 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
EP-2001485-B1 DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2015-09-09 EP disclosed
EP-2001485-B1 DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2015-09-09 EP disclosed
US-20090124603-A1 Diazepan Orexin Receptor Antagonists MERCK SHARP & DOHME LLC 2009-05-14 US disclosed
US-20090124603-A1 Diazepan Orexin Receptor Antagonists MERCK SHARP & DOHME LLC 2009-05-14 US disclosed
US-20090124603-A1 Diazepan Orexin Receptor Antagonists MERCK SHARP & DOHME LLC 2009-05-14 US disclosed
WO-2007126935-A2 DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-11-08 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 HCRTR2 2/4885HCRTR1 1/4885
US-10894042-B2 Methods and pharmaceutical compositions for the treatment of cancer OXTR, OGFR, OXGR1 HCRTR2 14/4885HCRTR1 18/4885
US-20090124603-A1 Diazepan Orexin Receptor Antagonists HCRTR2, HCRTR1, OXTR HCRTR2 1/4885HCRTR1 2/4885
US-20190083508-A1 USE OF OX1R ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASES GPR180, OXGR1, MLNR HCRTR2 17/4885HCRTR1 22/4885

“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.