SCHEMBL493578

SCHEMBL493578

CN(CCOCC(=O)NCC1CCC(C(c2ccccc2)N2CCOCC2)CC1)S(=O)(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAPEPLD Q6IQ20 5/20 0.37
BDKRB1 P46663 2/20 0.37
PTGIR P43119 2/20 0.37
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNB1 Q02641 1/20 0.34
CACNA1C Q13936 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TP53 P04637 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
SCHEMBL492623 0.94 NAPEPLD (0.36) NAPEPLDBDKRB1PTGIRMAPTTHRB
SCHEMBL493804 0.93 BDKRB1 (0.38) BDKRB1PTGIRMAPTMEN1KMT2A
SCHEMBL493208 0.91 GRM5 (0.37) NAPEPLDBDKRB1PTGIR
SCHEMBL493326 0.90 MEN1 (0.38) BDKRB1MAPTALDH1A1MEN1KMT2A
SCHEMBL493425 0.89 CNR2 (0.37) NAPEPLDBDKRB1PTGIRMAPTTHRB
SCHEMBL493688 0.87 PTGIR (0.37) BDKRB1PTGIRMEN1KMT2ACACNA2D1
SCHEMBL493640 0.87 ALDH1A1 (0.38) NAPEPLDBDKRB1ALDH1A1MEN1KMT2A
SCHEMBL493034 0.87 BDKRB1 (0.49) BDKRB1
SCHEMBL493901 0.86 PTGIR (0.41) BDKRB1PTGIRMAPTALDH1A1HPGD
SCHEMBL492758 0.84 GRM5 (0.38) BDKRB1PTGIR

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 10/4885BDKRB1 1622/4885PTGIR 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.