SCHEMBL1968909

SCHEMBL1968909

COc1cc(CCN(CC2CC2)C(=O)c2nc(N)sc2-c2cccc(C)c2)c(OC)cc1I

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 14/20 0.42
HCRTR2 O43614 14/20 0.42
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LTC4S Q16873 1/20 0.34
PKM P14618 1/20 0.33
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 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
SCHEMBL1968977 0.89 HCRTR1 (0.42) HCRTR1HCRTR2KDM4EALDH1A1HPGD
SCHEMBL1969278 0.89 HCRTR1 (0.45) HCRTR1HCRTR2KDM4EALDH1A1HPGD
SCHEMBL1967041 0.88 HCRTR1 (0.44) HCRTR1HCRTR2KDM4EALDH1A1PKM
SCHEMBL1968475 0.85 HCRTR1 (0.45) HCRTR1HCRTR2KDM4EALDH1A1HPGD
SCHEMBL1967334 0.85 HCRTR1 (0.51) HCRTR1HCRTR2ALDH1A1SMN1; SMN2
SCHEMBL1970326 0.85 HCRTR1 (0.44) HCRTR1HCRTR2ALDH1A1OXTRAVPR1A
SCHEMBL1970881 0.84 HCRTR1 (0.45) HCRTR1HCRTR2KDM4EALDH1A1HPGD
SCHEMBL1969720 0.84 HCRTR1 (0.41) HCRTR1HCRTR2KDM4EALDH1A1HPGD
SCHEMBL1970126 0.84 HCRTR1 (0.41) HCRTR1HCRTR2KDM4EALDH1A1HPGD
SCHEMBL1965083 0.84 HCRTR1 (0.41) HCRTR1HCRTR2KDM4EALDH1A1HPGD

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.