SCHEMBL1398783

SCHEMBL1398783

COc1ccc(-c2oc(C)nc2C(=O)N2CCC2CNC(=O)c2c(C)nc3sccn23)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.50
HCRTR2 O43614 6/20 0.50
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL1398695 0.91 HCRTR1 (0.55) HCRTR1HCRTR2PKM
SCHEMBL4738226 0.87 HCRTR1 (0.50) HCRTR1HCRTR2KDM4EHTT
SCHEMBL4741186 0.87 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL1398877 0.86 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL1398763 0.86 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL1398577 0.86 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL4786378 0.86 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL4739900 0.85 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL4787352 0.84 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL1398771 0.84 HCRTR1 (0.52) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994336-B2 Azetidine compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-09 US disclosed
EP-2069332-B1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-02 EP disclosed
US-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-02 US 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-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R HCRTR1 2/4885HCRTR2 1/4885KDM4E 903/4885

“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.