SCHEMBL1968757

SCHEMBL1968757

COc1ccc(CCN(CC2CC2)C(=O)c2nc(N)sc2-c2cccc(C)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.44
HCRTR2 O43614 13/20 0.44
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
PKM P14618 1/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL1969722 0.93 HCRTR1 (0.49) HCRTR1HCRTR2ALDH1A1KDM4EPKM
SCHEMBL1971339 0.93 HCRTR1 (0.45) HCRTR1HCRTR2ALDH1A1KDM4EPKM
SCHEMBL2406704 0.92 HCRTR1 (0.42) HCRTR1HCRTR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1968008 0.91 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL1970490 0.91 HCRTR1 (0.41) HCRTR1HCRTR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1972113 0.91 HCRTR1 (0.42) HCRTR1HCRTR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1967086 0.90 DAGLB (0.45) HCRTR1HCRTR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1967334 0.90 HCRTR1 (0.51) HCRTR1HCRTR2ALDH1A1MAPTSMN1; SMN2
SCHEMBL1968568 0.90 HCRTR1 (0.43) HCRTR1HCRTR2ALDH1A1KDM4EPKM
SCHEMBL1970797 0.90 HCRTR1 (0.42) HCRTR1HCRTR2

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 1/4885ALDH1A1 2292/4885

“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.