SCHEMBL494025

SCHEMBL494025

CN(C)C(CCc1ccccc1)C1CCC(CNC(=O)COCCN(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.36
FAAH O00519 4/20 0.35
ACHE P22303 4/20 0.35
BCHE P06276 3/20 0.35
BDKRB1 P46663 2/20 0.35
SLC9A3 P48764 3/20 0.34
PTGIR P43119 4/20 0.34
NAPEPLD Q6IQ20 4/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL493317 0.94 BDKRB1 (0.40) CXCR3FAAHACHEBCHEBDKRB1
SCHEMBL493427 0.91 CXCR3 (0.37) CXCR3FAAHACHEBCHEBDKRB1
SCHEMBL492852 0.89 CXCR3 (0.46) CXCR3FAAHACHEBCHEPTGIR
SCHEMBL493493 0.88 FAAH (0.36) FAAHACHEBCHEBDKRB1SLC9A3
SCHEMBL494402 0.87 BDKRB1 (0.48) BDKRB1
SCHEMBL492844 0.86 PTGIR (0.40) CXCR3FAAHACHEBCHEBDKRB1
SCHEMBL493541 0.86 NAPEPLD (0.38) FAAHACHEBCHENAPEPLDALDH1A1
SCHEMBL493602 0.85 MAPT (0.43) CXCR3PTGIRALDH1A1
SCHEMBL492872 0.85 AVPR1B (0.40) BDKRB1
SCHEMBL492804 0.85 HTT (0.41) CXCR3PTGIRALDH1A1HPGD

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 CXCR3 4458/4885FAAH 6/4885ACHE 52/4885

“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.