SCHEMBL492867

SCHEMBL492867

CN(CCOCC(=O)NC1CCC(C(c2ccccc2)N2CCCC2)CC1)S(=O)(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
CACNA2D1 P54289 3/20 0.36
CACNA1B Q00975 3/20 0.36
CACNB1 Q02641 3/20 0.36
CACNA1C Q13936 3/20 0.36
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RAB9A P51151 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CCR5 P51681 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
SCHEMBL493714 0.94 CACNA2D1 (0.42) BDKRB1L3MBTL1CACNA2D1CACNA1BCACNB1
SCHEMBL492975 0.94 CACNA2D1 (0.37) BDKRB1L3MBTL1CACNA2D1CACNA1BCACNB1
SCHEMBL492596 0.93 ALDH1A1 (0.37) BDKRB1L3MBTL1CACNA2D1CACNA1BCACNB1
SCHEMBL493326 0.93 MEN1 (0.38) BDKRB1L3MBTL1CACNA2D1CACNA1BCACNB1
SCHEMBL493360 0.90 LMNA (0.39) BDKRB1ALDH1A1TDP1GAASMN1; SMN2
SCHEMBL493804 0.89 BDKRB1 (0.38) BDKRB1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL493689 0.88 CACNA2D1 (0.37) BDKRB1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL493117 0.88 CACNA2D1 (0.42) BDKRB1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL493013 0.87 MEN1 (0.37) BDKRB1L3MBTL1CACNA2D1CACNA1BCACNB1
SCHEMBL493313 0.86 BDKRB1 (0.53) BDKRB1

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 BDKRB1 1622/4885L3MBTL1 4753/4885CACNA2D1 638/4885

“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.