SCHEMBL4540641

SCHEMBL4540641

CCOc1cc(F)ccc1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 1.00
HCRTR2 O43614 20/20 1.00
CYP3A4 P08684 1/20 0.64

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
SCHEMBL4540638 1.00 HCRTR1 (1.00) HCRTR1HCRTR2CYP3A4
SCHEMBL4531737 0.91 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4531736 0.91 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4540570 0.91 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4536975 0.90 HCRTR1 (1.00) HCRTR1HCRTR2CYP3A4
SCHEMBL4536977 0.90 HCRTR1 (1.00) HCRTR1HCRTR2CYP3A4
SCHEMBL4535898 0.90 HCRTR1 (1.00) HCRTR1HCRTR2CYP3A4
SCHEMBL4535897 0.90 HCRTR1 (1.00) HCRTR1HCRTR2CYP3A4
SCHEMBL4533981 0.89 HCRTR1 (1.00) HCRTR1HCRTR2CYP3A4
SCHEMBL4533983 0.89 HCRTR1 (1.00) HCRTR1HCRTR2CYP3A4

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-9242970-B2 Lactam derivatives useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-01-26 US disclosed
EP-2638008-B1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-07-01 EP disclosed
EP-2638008-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-09-18 EP disclosed
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-12 US disclosed
WO-2012063207-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-05-18 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 (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-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R HCRTR1 2/4885HCRTR2 1/4885CYP3A4 987/4885

“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.