SCHEMBL2406403

SCHEMBL2406403

COc1ccc(CC(=O)NC2CC2)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.70
EPHX2 P34913 2/20 0.58
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
EPHX1 P07099 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
ALDH1A1 P00352 1/20 0.57
GAA P10253 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
CTSD P07339 4/20 0.56
POLB P06746 2/20 0.56
KDM4E B2RXH2 1/20 0.56

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
SCHEMBL23417659 0.93 EPHX2 (0.68) SIGMAR1EPHX2KMT2AMEN1EPHX1
SCHEMBL9029679 0.84 SIGMAR1 (0.56) SIGMAR1EPHX2SMN1; SMN2ALDH1A1GAA
SCHEMBL9029674 0.84 SIGMAR1 (0.56) SIGMAR1EPHX2SMN1; SMN2ALDH1A1GAA
SCHEMBL9028338 0.84 GAA (0.60) SIGMAR1EPHX2SMN1; SMN2ALDH1A1GAA
SCHEMBL2969801 0.84 GAA (0.60) SIGMAR1EPHX2SMN1; SMN2ALDH1A1GAA
SCHEMBL13202133 0.84 GAA (0.60) SIGMAR1EPHX2SMN1; SMN2ALDH1A1GAA
SCHEMBL2969065 0.83 SIGMAR1 (0.55) SIGMAR1EPHX2SMN1; SMN2ALDH1A1GAA
SCHEMBL2978204 0.83 TRPV1 (0.58) SIGMAR1EPHX2SMN1; SMN2ALDH1A1GAA
SCHEMBL2978208 0.83 TRPV1 (0.58) SIGMAR1EPHX2SMN1; SMN2ALDH1A1GAA
SCHEMBL2969069 0.83 SIGMAR1 (0.55) SIGMAR1EPHX2SMN1; SMN2ALDH1A1GAA

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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
CN-102164896-A Phenethylamide derivatives and their heterocyclic analogues ACTELION PHARMACEUTICALS LTD 2011-08-24 CN disclosed
EP-0852142-A1 Diamines in the treatment of arrhythmia SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1998-07-08 EP disclosed
EP-0639973-A1 DIAMINES IN THE TREATMENT OF ARRHYTHMIA SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1995-03-01 EP disclosed
WO-1993023024-A1 DIAMINES IN THE TREATMENT OF ARRHYTHMIA SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1993-11-25 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 SIGMAR1 108/4885EPHX2 1117/4885KMT2A 253/4885

“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.