SCHEMBL492623

SCHEMBL492623

CN(CCOCC(=O)NCC1CCC(C(c2ccccc2)N2CCOCC2)CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAPEPLD Q6IQ20 8/20 0.36
THRB P10828 1/20 0.36
PTGIR P43119 1/20 0.36
MAPT P10636 2/20 0.35
CNR2 P34972 2/20 0.35
CACNA2D1 P54289 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNB1 Q02641 1/20 0.34
CACNA1C Q13936 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
BDKRB1 P46663 2/20 0.34
TP53 P04637 1/20 0.34
FAAH O00519 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 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
SCHEMBL493578 0.94 NAPEPLD (0.37) NAPEPLDTHRBPTGIRMAPTCACNA2D1
SCHEMBL493688 0.94 PTGIR (0.37) PTGIRCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL493208 0.93 GRM5 (0.37) NAPEPLDPTGIRBDKRB1FAAHBCHE
SCHEMBL493425 0.92 CNR2 (0.37) NAPEPLDTHRBPTGIRMAPTCNR2
SCHEMBL493013 0.90 MEN1 (0.37) NAPEPLDTHRBCNR2CACNA2D1CACNA1B
SCHEMBL493541 0.88 NAPEPLD (0.38) NAPEPLDMEN1KMT2AFAAHBCHE
SCHEMBL493804 0.88 BDKRB1 (0.38) PTGIRMAPTCACNA2D1CACNA1BCACNB1
SCHEMBL493034 0.87 BDKRB1 (0.49) BDKRB1
SCHEMBL492844 0.86 PTGIR (0.40) PTGIRMEN1KMT2ABDKRB1FAAH
SCHEMBL492758 0.86 GRM5 (0.38) PTGIRBDKRB1FAAHBCHEACHE

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 NAPEPLD 10/4885THRB 3770/4885PTGIR 121/4885

“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.