SCHEMBL4307333

SCHEMBL4307333

Cc1ccc(-n2nccn2)c(C(=O)N2CC3CCC2CCN3c2ncc3cc(F)ccc3n2)c1

nearest known ligand 0.91

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 20/20 0.91
HCRTR1 O43613 18/20 0.91

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
SCHEMBL4318520 1.00 HCRTR2 (0.91) HCRTR2HCRTR1
SCHEMBL22896773 1.00 HCRTR2 (0.91) HCRTR2HCRTR1
SCHEMBL4313183 1.00 HCRTR2 (0.91) HCRTR2HCRTR1
SCHEMBL4317720 0.95 HCRTR1 (1.00) HCRTR2HCRTR1
SCHEMBL4312343 0.95 HCRTR1 (1.00) HCRTR2HCRTR1
SCHEMBL4306779 0.95 HCRTR1 (1.00) HCRTR2HCRTR1
SCHEMBL4306752 0.85 HCRTR2 (0.88) HCRTR2HCRTR1
SCHEMBL4321503 0.85 HCRTR2 (0.88) HCRTR2HCRTR1
SCHEMBL4310014 0.85 HCRTR1 (0.88) HCRTR2HCRTR1
SCHEMBL3084479 0.82 HCRTR1 (0.76) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049110-B1 BRIDGED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-08-20 EP claimed
US-20090239843-A1 Bridged diazepan orexin receptor antagonists MERCK SHARP & DOHME LLC 2009-09-24 US claimed
EP-2049110-A2 BRIDGED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2009-04-22 EP claimed
WO-2008008517-A2 BRIDGED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-01-17 WO claimed
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-20090239843-A1 Bridged diazepan orexin receptor antagonists MERCK SHARP & DOHME LLC 2009-09-24 US disclosed
WO-2008008517-A2 BRIDGED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-01-17 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 (3 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-20190083508-A1 USE OF OX1R ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASES GPR180, OXGR1, MLNR HCRTR2 17/4885HCRTR1 22/4885
US-20090239843-A1 Bridged diazepan orexin receptor antagonists HCRTR2, HCRTR1, CRHR1 HCRTR2 1/4885HCRTR1 2/4885

“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.