SCHEMBL493013

SCHEMBL493013

CN(CCOCC(=O)NC1CCC(C(c2ccccc2)N2CCOCC2)CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNB1 Q02641 1/20 0.35
CACNA1C Q13936 1/20 0.35
BDKRB1 P46663 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
THRB P10828 1/20 0.34
CNR2 P34972 1/20 0.34
GALR3 O60755 1/20 0.34
RAB9A P51151 1/20 0.34
NAPEPLD Q6IQ20 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
SCHEMBL493326 0.94 MEN1 (0.38) MEN1KMT2ACYP3A4CYP2C19CACNA2D1
SCHEMBL492975 0.93 CACNA2D1 (0.37) MEN1KMT2ACACNA2D1CACNA1BCACNB1
SCHEMBL492596 0.93 ALDH1A1 (0.37) MEN1KMT2ACACNA2D1CACNA1BCACNB1
SCHEMBL493151 0.92 TACR1 (0.37) MEN1KMT2ACYP3A4CYP2C19BDKRB1
SCHEMBL493117 0.92 CACNA2D1 (0.42) CACNA2D1CACNA1BCACNB1CACNA1CBDKRB1
SCHEMBL492771 0.91 MEN1 (0.38) MEN1KMT2ACYP3A4CYP2C19CACNA2D1
SCHEMBL493402 0.91 KMT2A (0.37) MEN1KMT2ACYP3A4CYP2C19CACNA2D1
SCHEMBL492623 0.90 NAPEPLD (0.36) MEN1KMT2ACACNA2D1CACNA1BCACNB1
SCHEMBL493343 0.87 NAPEPLD (0.37) MEN1KMT2ABDKRB1SMN1; SMN2L3MBTL1
SCHEMBL492867 0.87 BDKRB1 (0.39) MEN1KMT2ACACNA2D1CACNA1BCACNB1

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 MEN1 4132/4885KMT2A 1749/4885CYP3A4 465/4885

“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.