SCHEMBL493714

SCHEMBL493714

CN1CCN(C(c2ccccc2)C2CCC(NC(=O)COCCN(C)S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 4/20 0.42
CACNA1B Q00975 4/20 0.42
CACNB1 Q02641 4/20 0.42
CACNA1C Q13936 4/20 0.42
BDKRB1 P46663 9/20 0.38
ALDH1A1 P00352 1/20 0.36
HTR1D P28221 2/20 0.36
HTR1B P28222 2/20 0.36
CCR5 P51681 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL493117 0.94 CACNA2D1 (0.42) CACNA2D1CACNA1BCACNB1CACNA1CBDKRB1
SCHEMBL492867 0.94 BDKRB1 (0.39) CACNA2D1CACNA1BCACNB1CACNA1CBDKRB1
SCHEMBL493326 0.92 MEN1 (0.38) CACNA2D1CACNA1BCACNB1CACNA1CBDKRB1
SCHEMBL492634 0.91 CACNA2D1 (0.38) CACNA2D1CACNA1BCACNB1CACNA1CBDKRB1
SCHEMBL493216 0.88 CACNA2D1 (0.43) CACNA2D1CACNA1BCACNB1CACNA1CBDKRB1
SCHEMBL492975 0.88 CACNA2D1 (0.37) CACNA2D1CACNA1BCACNB1CACNA1CBDKRB1
SCHEMBL492596 0.87 ALDH1A1 (0.37) CACNA2D1CACNA1BCACNB1CACNA1CBDKRB1
SCHEMBL493067 0.87 BDKRB1 (0.54) BDKRB1
SCHEMBL493013 0.86 MEN1 (0.37) CACNA2D1CACNA1BCACNB1CACNA1CBDKRB1
SCHEMBL492955 0.85 BDKRB1 (0.41) BDKRB1ALDH1A1L3MBTL1

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 CACNA2D1 638/4885CACNA1B 1416/4885CACNB1 3167/4885

“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.