SCHEMBL1967729

SCHEMBL1967729

COC(=O)c1ncoc1-c1ccc(C)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 4/20 0.46
GSK3B P49841 11/20 0.43
CDK2 P24941 8/20 0.43
GAA P10253 1/20 0.42
FBP1 P09467 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
ADORA2A P29274 1/20 0.40

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
SCHEMBL1166888 0.84 ADORA2A (0.46) HCRTR2GSK3BCDK2GAAFBP1
SCHEMBL14564447 0.84 MEN1 (0.55) GSK3BCDK2GAAFBP1MEN1
SCHEMBL3743984 0.82 NOTUM (0.52) GSK3BCDK2GAA
SCHEMBL8135631 0.82 GSK3B (0.51) GSK3BCDK2GAAFBP1MEN1
SCHEMBL27918793 0.80 HCRTR2 (0.40) HCRTR2GSK3BCDK2GAAFBP1
SCHEMBL6372051 0.79 ADORA2A (0.60) GSK3BCDK2GAAFBP1MEN1
SCHEMBL27905112 0.79 KDM4E (0.47) GSK3BCDK2GAAFBP1MEN1
SCHEMBL1931754 0.79 GAA (0.65) GSK3BCDK2GAAFBP1MEN1
SCHEMBL1969272 0.79 ADORA2A (0.64) HCRTR2GSK3BCDK2GAAFBP1
SCHEMBL2819846 0.79 GSK3B (0.48) GSK3BCDK2GAAMEN1KMT2A

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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 HCRTR2 1/4885GSK3B 3215/4885CDK2 2711/4885

“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.