SCHEMBL1967737

SCHEMBL1967737

COc1ccc(CCN(CC2CC2)C(=O)c2nccnc2-c2ccccc2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
CHRM5 P08912 4/20 0.45
CHRM1 P11229 4/20 0.45
CHRM3 P20309 4/20 0.45
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
KMT2A Q03164 1/20 0.43
LPAR1 Q92633 3/20 0.43
LPAR5 Q9H1C0 3/20 0.43
NPC1 O15118 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 1/20 0.42
PDE4D Q08499 1/20 0.42
MAPT P10636 1/20 0.42
CHRM2 P08172 1/20 0.41

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
SCHEMBL1964267 0.84 MAPT (0.45) CHRM5CHRM1CHRM3ALDH1A1LPAR1
SCHEMBL1966896 0.83 KMT2A (0.46) CHRM5CHRM1CHRM3ALDH1A1MEN1
SCHEMBL1971556 0.82 CHRM5 (0.43) CHRM5CHRM1CHRM3ALDH1A1MEN1
SCHEMBL1974543 0.82 HCRTR1 (0.39) HCRTR1HCRTR2ALDH1A1KMT2ALPAR1
SCHEMBL2405626 0.82 ALDH1A1 (0.45) HCRTR1HCRTR2CHRM5CHRM1CHRM3
SCHEMBL1971362 0.81 ALDH1A1 (0.44) HCRTR1HCRTR2CHRM5CHRM1CHRM3
SCHEMBL1969922 0.81 HCRTR1 (0.46) HCRTR1HCRTR2CHRM5CHRM1CHRM3
SCHEMBL1971975 0.81 HCRTR1 (0.50) HCRTR1HCRTR2CHRM5CHRM1CHRM3
SCHEMBL1968992 0.81 ALDH1A1 (0.45) HCRTR1HCRTR2CHRM5CHRM1CHRM3
SCHEMBL1967048 0.80 ALDH1A1 (0.44) HCRTR1HCRTR2CHRM5CHRM1CHRM3

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 claimed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP claimed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO claimed
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

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 HCRTR1 2/4885HCRTR2 1/4885CHRM5 225/4885

“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.