SCHEMBL1968328

SCHEMBL1968328

COc1ccc(C(O)CN(CC2CC2)C(=O)c2ncsc2-c2cccc(Cl)c2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 9/20 0.43
HCRTR1 O43613 8/20 0.43
LTC4S Q16873 2/20 0.38
OXTR P30559 1/20 0.37
PDE4B Q07343 1/20 0.35
GRM5 P41594 1/20 0.34
CTSA P10619 2/20 0.34
CHRM1 P11229 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
SCHEMBL1966277 0.91 HCRTR1 (0.38) HCRTR2HCRTR1LTC4SPDE4BCTSA
SCHEMBL2405173 0.91 HCRTR2 (0.40) HCRTR2HCRTR1LTC4SOXTRPDE4B
SCHEMBL1970924 0.91 KDM4E (0.38) LTC4SOXTRPDE4B
SCHEMBL1970381 0.91 CYP1A2 (0.40) HCRTR2HCRTR1LTC4SPDE4BCTSA
SCHEMBL1968543 0.88 LTC4S (0.41) LTC4SCTSA
SCHEMBL1967956 0.86 LPAR1 (0.38) HCRTR2HCRTR1LTC4SOXTRPDE4B
SCHEMBL1968403 0.86 HCRTR1 (0.44) HCRTR2HCRTR1LTC4SOXTRCTSA
SCHEMBL1972116 0.85 HCRTR1 (0.45) HCRTR2HCRTR1LTC4SOXTRCHRM1
SCHEMBL1967610 0.83 LPAR1 (0.36) OXTRPDE4B
SCHEMBL1969374 0.80 HCRTR1 (0.42) HCRTR2HCRTR1LTC4SOXTRPDE4B

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 HCRTR2 1/4885HCRTR1 2/4885LTC4S 2070/4885

“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.