SCHEMBL493343

SCHEMBL493343

CN(CCOCC(=O)NC1CCC(C(CCc2ccccc2)N2CCOCC2)CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAPEPLD Q6IQ20 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MCHR1 Q99705 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BDKRB1 P46663 3/20 0.34
SIGMAR1 Q99720 2/20 0.34
TMPRSS11D O60235 1/20 0.33
CTRL P40313 1/20 0.33

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
SCHEMBL492761 0.94 ALDH1A1 (0.39) NAPEPLDALDH1A1HTTL3MBTL1KMT2A
SCHEMBL493625 0.93 L3MBTL1 (0.36) ALDH1A1L3MBTL1KMT2AMEN1MCHR1
SCHEMBL492785 0.93 NAPEPLD (0.35) NAPEPLDALDH1A1HTTL3MBTL1KMT2A
SCHEMBL493228 0.92 MCHR1 (0.37) NAPEPLDALDH1A1HTTL3MBTL1KMT2A
SCHEMBL493541 0.90 NAPEPLD (0.38) NAPEPLDALDH1A1HTTKMT2AMEN1
SCHEMBL493573 0.88 BDKRB1 (0.48) BDKRB1
SCHEMBL492892 0.87 BDKRB1 (0.39) ALDH1A1L3MBTL1KMT2AMEN1BDKRB1
SCHEMBL493013 0.87 MEN1 (0.37) NAPEPLDL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL492747 0.86 LMNA (0.37) ALDH1A1HTTL3MBTL1NPSR1SMN1; SMN2
SCHEMBL493640 0.85 ALDH1A1 (0.38) NAPEPLDALDH1A1HTTKMT2AMEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD NAPEPLD 10/4885ALDH1A1 1349/4885HTT 3541/4885

“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.