SCHEMBL493317

SCHEMBL493317

CN(C)C(CCc1ccccc1)C1CCC(CNC(=O)COCCN(C)S(=O)(=O)c2c(Cl)cccc2Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.40
FAAH O00519 3/20 0.36
ACHE P22303 3/20 0.36
BCHE P06276 2/20 0.36
PTGIR P43119 3/20 0.36
CXCR3 P49682 3/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
NAPEPLD Q6IQ20 2/20 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
SCHEMBL494025 0.94 CXCR3 (0.36) BDKRB1FAAHACHEBCHEPTGIR
SCHEMBL492852 0.89 CXCR3 (0.46) FAAHACHEBCHEPTGIRCXCR3
SCHEMBL493427 0.88 CXCR3 (0.37) BDKRB1FAAHACHEBCHEPTGIR
SCHEMBL493292 0.87 BDKRB1 (0.38) BDKRB1FAAHACHEBCHEPTGIR
SCHEMBL493602 0.87 MAPT (0.43) PTGIRCXCR3KMT2AMEN1ALDH1A1
SCHEMBL494402 0.86 BDKRB1 (0.48) BDKRB1
SCHEMBL492804 0.86 HTT (0.41) PTGIRCXCR3KMT2AMEN1ALDH1A1
SCHEMBL493901 0.85 PTGIR (0.41) BDKRB1PTGIRKMT2AMEN1POLB
SCHEMBL493640 0.85 ALDH1A1 (0.38) BDKRB1FAAHACHEBCHEKMT2A
SCHEMBL493549 0.85 CXCR3 (0.49) FAAHACHEPTGIRCXCR3KMT2A

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 BDKRB1 1622/4885FAAH 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.