SCHEMBL492927

SCHEMBL492927

CN(CCOCC(=O)NCC1CCC(C(c2ccccc2)N2CCCC2)CC1)S(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNB1 Q02641 1/20 0.36
CACNA1C Q13936 1/20 0.36
PTGIR P43119 4/20 0.36
BDKRB1 P46663 5/20 0.36
FAAH O00519 2/20 0.36
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
TRPV4 Q9HBA0 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.34
CNR1 P21554 1/20 0.34
CCR5 P51681 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
SCHEMBL493425 0.94 CNR2 (0.37) CACNA2D1CACNA1BCACNB1CACNA1CPTGIR
SCHEMBL493688 0.91 PTGIR (0.37) CACNA2D1CACNA1BCACNB1CACNA1CPTGIR
SCHEMBL493689 0.90 CACNA2D1 (0.37) CACNA2D1CACNA1BCACNB1CACNA1CBDKRB1
SCHEMBL493804 0.88 BDKRB1 (0.38) CACNA2D1CACNA1BCACNB1CACNA1CPTGIR
SCHEMBL494236 0.87 FAAH (0.37) BDKRB1FAAHBCHEACHETRPV4
SCHEMBL492758 0.85 GRM5 (0.38) PTGIRBDKRB1FAAHBCHEACHE
SCHEMBL492623 0.85 NAPEPLD (0.36) CACNA2D1CACNA1BCACNB1CACNA1CPTGIR
SCHEMBL493216 0.84 CACNA2D1 (0.43) CACNA2D1CACNA1BCACNB1CACNA1CBDKRB1
SCHEMBL492771 0.83 MEN1 (0.38) CACNA2D1CACNA1BCACNB1CACNA1CBDKRB1
SCHEMBL493459 0.83 BDKRB1 (0.51) 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 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.