SCHEMBL492596

SCHEMBL492596

CN(CCOCC(=O)NC1CCC(C(c2ccccc2)N2CCCCC2)CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
CACNA2D1 P54289 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNB1 Q02641 1/20 0.36
CACNA1C Q13936 1/20 0.36
BDKRB1 P46663 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
TSHR P16473 1/20 0.35
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
SCHEMBL492975 0.99 CACNA2D1 (0.37) ALDH1A1TDP1CACNA2D1CACNA1BCACNB1
SCHEMBL493117 0.93 CACNA2D1 (0.42) CACNA2D1CACNA1BCACNB1CACNA1CBDKRB1
SCHEMBL492867 0.93 BDKRB1 (0.39) ALDH1A1TDP1CACNA2D1CACNA1BCACNB1
SCHEMBL493013 0.93 MEN1 (0.37) CACNA2D1CACNA1BCACNB1CACNA1CBDKRB1
SCHEMBL493360 0.91 LMNA (0.39) ALDH1A1TDP1BDKRB1SMN1; SMN2LMNA
SCHEMBL492976 0.91 ALDH1A1 (0.37) ALDH1A1TDP1CACNA2D1CACNA1BCACNB1
SCHEMBL493689 0.90 CACNA2D1 (0.37) ALDH1A1TDP1CACNA2D1CACNA1BCACNB1
SCHEMBL493184 0.90 POLB (0.36) ALDH1A1TDP1CACNA2D1CACNA1BCACNB1
SCHEMBL493688 0.89 PTGIR (0.37) CACNA2D1CACNA1BCACNB1CACNA1CBDKRB1
SCHEMBL644329 0.88 CACNA2D1 (0.37) ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C

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 ALDH1A1 1349/4885TDP1 3893/4885CACNA2D1 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.