SCHEMBL4306779

SCHEMBL4306779

Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H]3C[C@@H]2CCN3c2ncc3cc(F)ccc3n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 1.00
HCRTR2 O43614 19/20 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
SCHEMBL4312343 1.00 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4317720 1.00 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4318520 0.95 HCRTR2 (0.91) HCRTR1HCRTR2
SCHEMBL22896773 0.95 HCRTR2 (0.91) HCRTR1HCRTR2
SCHEMBL4313183 0.95 HCRTR2 (0.91) HCRTR1HCRTR2
SCHEMBL4307333 0.95 HCRTR2 (0.91) HCRTR1HCRTR2
SCHEMBL4315316 0.83 HCRTR1 (0.82) HCRTR1HCRTR2
SCHEMBL4321503 0.82 HCRTR2 (0.88) HCRTR1HCRTR2
SCHEMBL4306752 0.82 HCRTR2 (0.88) HCRTR1HCRTR2
SCHEMBL4310014 0.82 HCRTR1 (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 2 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

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-20090239843-A1 Bridged diazepan orexin receptor antagonists HCRTR2, HCRTR1, CRHR1 HCRTR1 2/4885HCRTR2 1/4885

“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.