SCHEMBL1966594

SCHEMBL1966594

COc1ccc(C(O)CN(CC2CC2)C(=O)c2nc(N)sc2-c2ccccc2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PKM P14618 3/20 0.36
LPAR1 Q92633 2/20 0.35
LPAR5 Q9H1C0 2/20 0.35
HCRTR1 O43613 5/20 0.35
HCRTR2 O43614 5/20 0.35
LTC4S Q16873 1/20 0.34
RCE1 Q9Y256 1/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
PDE4B Q07343 1/20 0.34
ACHE P22303 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL2404306 0.93 OXTR (0.38) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL1967405 0.92 HCRTR1 (0.44) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL1967188 0.91 LPAR1 (0.36) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL1968403 0.91 HCRTR1 (0.44) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL1970670 0.91 HCRTR1 (0.44) HCRTR1HCRTR2PDE4B
SCHEMBL1973040 0.89 HCRTR1 (0.38) KDM4EALDH1A1LPAR1LPAR5HCRTR1
SCHEMBL1966449 0.89 LPAR1 (0.35) KDM4EALDH1A1LPAR1LPAR5HCRTR1
SCHEMBL1970924 0.85 KDM4E (0.38) KDM4EALDH1A1LPAR1LPAR5LTC4S
SCHEMBL1965921 0.84 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL1967048 0.83 ALDH1A1 (0.44) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10

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 6 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
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 KDM4E 452/4885ALDH1A1 2292/4885SMN1; SMN2 3751/4885

“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.