SCHEMBL198064

SCHEMBL198064

COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C(C(=O)NC(C)C)c2ccccc2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 16/20 1.00
HCRTR2 O43614 15/20 1.00
MTNR1B P49286 4/20 0.55
MTNR1A P48039 1/20 0.55

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
SCHEMBL198063 1.00 HCRTR1 (1.00) HCRTR1HCRTR2MTNR1BMTNR1A
SCHEMBL30593432 1.00 HCRTR1 (1.00) HCRTR1HCRTR2MTNR1BMTNR1A
SCHEMBL27922238 0.91 HCRTR1 (0.84) HCRTR1HCRTR2MTNR1BMTNR1A
SCHEMBL5206870 0.88 HCRTR1 (0.79) HCRTR1HCRTR2MTNR1BMTNR1A
SCHEMBL246714 0.87 HCRTR1 (1.00) HCRTR1HCRTR2MTNR1BMTNR1A
SCHEMBL196581 0.87 HCRTR1 (1.00) HCRTR1HCRTR2MTNR1BMTNR1A
SCHEMBL196582 0.87 HCRTR1 (1.00) HCRTR1HCRTR2MTNR1BMTNR1A
SCHEMBL5207553 0.87 HCRTR1 (0.76) HCRTR1HCRTR2MTNR1BMTNR1A
SCHEMBL5211349 0.86 HCRTR1 (0.76) HCRTR1HCRTR2MTNR1BMTNR1A
SCHEMBL5210435 0.86 HCRTR1 (0.76) HCRTR1HCRTR2MTNR1BMTNR1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303023-B2 Pyrazole and imidazole derivatives useful as orexin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-04-05 US disclosed
EP-2675801-B1 NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-04-08 EP disclosed
US-20130324579-A1 NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-12-05 US disclosed
EP-2402322-A1 1,2,3,4-tetrahydroisoquinoline derivative and its use as orexin receptor antagonist Actelion Pharmaceuticals Ltd. (CH) 2012-01-04 EP disclosed
EP-2402322-A1 1,2,3,4-tetrahydroisoquinoline derivative and its use as orexin receptor antagonist Actelion Pharmaceuticals Ltd. (CH) 2012-01-04 EP 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-20130324579-A1 NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPY1R HCRTR1 2/4885HCRTR2 1/4885MTNR1B 33/4885

“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.