SCHEMBL1968335

SCHEMBL1968335

COc1ccc(CCN(CC2CC2)C(=O)c2nc(C)sc2-c2ccc(C#N)cc2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.48
HCRTR2 O43614 12/20 0.48
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL1969690 0.91 HCRTR1 (0.49) HCRTR1HCRTR2GAANPSR1
SCHEMBL1971609 0.90 HCRTR1 (0.51) HCRTR1HCRTR2KDM4EALDH1A1MAPT
SCHEMBL1971975 0.89 HCRTR1 (0.50) HCRTR1HCRTR2KDM4EALDH1A1MAPT
SCHEMBL1970052 0.88 HCRTR1 (0.48) HCRTR1HCRTR2KDM4EALDH1A1MAPT
SCHEMBL2407929 0.88 HCRTR1 (0.50) HCRTR1HCRTR2KDM4EALDH1A1MAPT
SCHEMBL2406668 0.86 HCRTR1 (0.48) HCRTR1HCRTR2KDM4EALDH1A1MAPT
SCHEMBL2405222 0.86 HCRTR1 (0.50) HCRTR1HCRTR2KDM4EALDH1A1MAPT
SCHEMBL1967039 0.86 HCRTR1 (0.51) HCRTR1HCRTR2KDM4EALDH1A1MAPT
SCHEMBL1971377 0.85 HCRTR1 (0.49) HCRTR1HCRTR2KDM4EALDH1A1MAPT
SCHEMBL1968457 0.85 HCRTR1 (0.60) 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.