SCHEMBL1969720

SCHEMBL1969720

Cc1cccc(-c2sc(N)nc2C(=O)N(CCc2ccccc2C)CC2CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.41
HCRTR2 O43614 13/20 0.41
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
KDM4E B2RXH2 1/20 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
CRHR1 P34998 2/20 0.36
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 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
SCHEMBL1965083 0.93 HCRTR1 (0.41) HCRTR1HCRTR2TLR8TLR7KDM4E
SCHEMBL1970126 0.93 HCRTR1 (0.41) HCRTR1HCRTR2TLR8TLR7KDM4E
SCHEMBL1969500 0.92 HCRTR1 (0.43) HCRTR1HCRTR2TLR8TLR7KDM4E
SCHEMBL1968997 0.91 HCRTR1 (0.40) HCRTR1HCRTR2TLR8TLR7KDM4E
SCHEMBL1969278 0.90 HCRTR1 (0.45) HCRTR1HCRTR2TLR8TLR7KDM4E
SCHEMBL1972113 0.89 HCRTR1 (0.42) HCRTR1HCRTR2TLR8TLR7KDM4E
SCHEMBL1970797 0.88 HCRTR1 (0.42) HCRTR1HCRTR2TLR8TLR7MEN1
SCHEMBL2406704 0.88 HCRTR1 (0.42) HCRTR1HCRTR2TLR8TLR7KDM4E
SCHEMBL3647049 0.87 HCRTR1 (0.44) HCRTR1HCRTR2TLR8TLR7KDM4E
SCHEMBL2409465 0.87 HCRTR2 (0.39) HCRTR1HCRTR2TLR8TLR7SMN1; SMN2

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 1/4885TLR8 1460/4885

“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.