SCHEMBL1968403

SCHEMBL1968403

COc1ccc(C(O)CN(CC2CC2)C(=O)c2nc(N)sc2-c2cccc(Cl)c2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.44
HCRTR2 O43614 11/20 0.44
KDM4E B2RXH2 3/20 0.37
PKM P14618 2/20 0.37
RCE1 Q9Y256 1/20 0.37
OXTR P30559 1/20 0.36
LTC4S Q16873 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PIN1 Q13526 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
CTSA P10619 1/20 0.33

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
SCHEMBL1967405 0.92 HCRTR1 (0.44) HCRTR1HCRTR2KDM4EPKMRCE1
SCHEMBL1966594 0.91 KDM4E (0.43) HCRTR1HCRTR2KDM4EPKMRCE1
SCHEMBL1967188 0.91 LPAR1 (0.36) HCRTR1HCRTR2KDM4EPKMRCE1
SCHEMBL2404306 0.87 OXTR (0.38) HCRTR1HCRTR2KDM4EPKMRCE1
SCHEMBL1968328 0.86 HCRTR2 (0.43) HCRTR1HCRTR2OXTRLTC4SCTSA
SCHEMBL1966449 0.85 LPAR1 (0.35) HCRTR1HCRTR2KDM4EOXTRALDH1A1
SCHEMBL1968244 0.84 HCRTR1 (0.51) HCRTR1HCRTR2SMN1; SMN2MAPT
SCHEMBL1965921 0.83 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL1967781 0.83 HCRTR1 (0.45) HCRTR1HCRTR2OXTRLTC4SALDH1A1
SCHEMBL1966768 0.83 HCRTR1 (0.45) HCRTR1HCRTR2KDM4EOXTRLTC4S

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 HCRTR1 2/4885HCRTR2 1/4885KDM4E 452/4885

“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.