SCHEMBL492844

SCHEMBL492844

CN(C)C(c1ccccc1)C1CCC(CNC(=O)COCCN(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 8/20 0.40
BDKRB1 P46663 3/20 0.35
SLC9A3 P48764 4/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FAAH O00519 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
CCR6 P51684 1/20 0.34
CXCR3 P49682 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
SCHEMBL493109 0.94 SLC9A3 (0.35) PTGIRBDKRB1SLC9A3
SCHEMBL493901 0.94 PTGIR (0.41) PTGIRBDKRB1MEN1KMT2ACCR6
SCHEMBL493506 0.92 PTGIR (0.35) PTGIRBDKRB1SLC9A3KMT2A
SCHEMBL494153 0.92 PTGIR (0.35) PTGIRBDKRB1SLC9A3
SCHEMBL493380 0.89 BDKRB1 (0.40) PTGIRBDKRB1SLC9A3MEN1KMT2A
SCHEMBL492815 0.89 BDKRB1 (0.36) BDKRB1SLC9A3MEN1KMT2A
SCHEMBL492721 0.89 CXCR3 (0.43) PTGIRMEN1KMT2AFAAHBCHE
SCHEMBL493160 0.87 PTGIR (0.36) PTGIRSLC9A3MEN1KMT2ACCR6
SCHEMBL644640 0.87 HDAC3 (0.36) PTGIRMEN1KMT2ACCR6CXCR3
SCHEMBL493688 0.87 PTGIR (0.37) PTGIRBDKRB1SLC9A3MEN1KMT2A

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 PTGIR 121/4885BDKRB1 1622/4885SLC9A3 2717/4885

“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.