SCHEMBL1969052

SCHEMBL1969052

COC(=O)c1ncoc1-c1cccc(N(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.50
GSK3B P49841 4/20 0.45
NOTUM Q6P988 2/20 0.44
FBP1 P09467 1/20 0.43
ADORA2A P29274 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLQ O75417 1/20 0.39
LMNA P02545 1/20 0.38
LRRK2 Q5S007 1/20 0.38
FYN P06241 1/20 0.37

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
SCHEMBL1166732 0.85 ADORA2A (0.49) HCRTR2GSK3BNOTUMFBP1ADORA2A
SCHEMBL27900798 0.82 HCRTR2 (0.43) HCRTR2GSK3BNOTUMFBP1ADORA2A
SCHEMBL9125394 0.82 GSK3B (0.64) HCRTR2GSK3BNOTUMFBP1ADORA2A
SCHEMBL1969272 0.81 ADORA2A (0.64) HCRTR2GSK3BFBP1ADORA2AKDM4E
SCHEMBL1167542 0.81 FBP1 (0.47) GSK3BFBP1ADORA2AKDM4EMEN1
SCHEMBL1166876 0.80 GSK3B (0.50) HCRTR2GSK3BFBP1ADORA2AMEN1
SCHEMBL5470802 0.79 HCRTR2 (0.50) HCRTR2GSK3BNOTUMFBP1ADORA2A
SCHEMBL5474080 0.79 LOXL2 (0.51) HCRTR2GSK3BFBP1ADORA2AMEN1
SCHEMBL1166776 0.79 GSK3B (0.49) HCRTR2GSK3BFBP1ADORA2AMEN1
SCHEMBL6372051 0.78 ADORA2A (0.60) GSK3BFBP1ADORA2AKDM4EALDH1A1

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 3215/4885NOTUM 3663/4885

“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.