SCHEMBL1972113

SCHEMBL1972113

Cc1cccc(-c2sc(N)nc2C(=O)N(CCc2ccccc2)CC2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 12/20 0.42
HCRTR2 O43614 12/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
VCP P55072 1/20 0.37
MAPK14 Q16539 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
DRD2 P14416 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
OPRK1 P41145 1/20 0.37
HRH2 P25021 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
SCHEMBL1970797 0.95 HCRTR1 (0.42) HCRTR1HCRTR2TLR8TLR7MEN1
SCHEMBL2406704 0.94 HCRTR1 (0.42) HCRTR1HCRTR2KDM4EALDH1A1HPGD
SCHEMBL1968008 0.93 HCRTR1 (0.41) HCRTR1HCRTR2OPRM1OPRK1
SCHEMBL1970490 0.93 HCRTR1 (0.41) HCRTR1HCRTR2KDM4EALDH1A1HPGD
SCHEMBL1968568 0.92 HCRTR1 (0.43) HCRTR1HCRTR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL1971350 0.91 HCRTR1 (0.40) HCRTR1HCRTR2KDM4EALDH1A1HPGD
SCHEMBL1967571 0.91 HCRTR1 (0.41) HCRTR1HCRTR2TLR8TLR7MEN1
SCHEMBL1968757 0.91 HCRTR1 (0.44) HCRTR1HCRTR2KDM4EALDH1A1HPGD
SCHEMBL1968195 0.90 HCRTR1 (0.41) HCRTR1HCRTR2TLR8TLR7MEN1
SCHEMBL1966079 0.90 MDM2 (0.41) 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 1/4885KDM4E 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.