SCHEMBL1966435

SCHEMBL1966435

CCOC(=O)C(Cl)C(=O)c1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.48
SLC6A3 Q01959 4/20 0.48
CHRNA1 P02708 2/20 0.48
CHRNG P07510 2/20 0.48
CHRNB1 P11230 2/20 0.48
CHRNB2 P17787 2/20 0.48
CHRNB4 P30926 2/20 0.48
SLC6A4 P31645 2/20 0.48
CHRNA3 P32297 2/20 0.48
CHRNA4 P43681 2/20 0.48
CHRND Q07001 2/20 0.48
ITGA5 P08648 1/20 0.48
CYP2C19 P33261 1/20 0.48
HRH1 P35367 1/20 0.48
CHRNA7 P36544 1/20 0.48
OPRK1 P41145 1/20 0.48
KCNH2 Q12809 1/20 0.48
CYP2B6 P20813 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 3/20 0.47

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
SCHEMBL23461767 0.87 GAA (0.45) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL29888742 0.87 GAA (0.45) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL27564348 0.86 SLC6A2 (0.49) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL11156933 0.86 KDM4E (0.49) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL23931566 0.84 SLC6A2 (0.57) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL30012030 0.84 SLC6A2 (0.57) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL28578327 0.84 L3MBTL1 (0.40) SMN1; SMN2ALDH1A1MEN1NPC1KMT2A
SCHEMBL1338330 0.84 LMNA (0.52) SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3
SCHEMBL10606039 0.82 SMN1; SMN2 (0.46) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL1968428 0.82 CES2 (0.53) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1

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 5 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 disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO disclosed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 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 (2 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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR SLC6A2 480/4885SLC6A3 456/4885CHRNA1 369/4885
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 SLC6A2 430/4885SLC6A3 576/4885CHRNA1 207/4885

“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.