SCHEMBL493427

SCHEMBL493427

CN(C)C(CCc1ccccc1)C1CCC(CNC(=O)COCCN(C)S(=O)(=O)c2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.37
BDKRB1 P46663 6/20 0.36
FAAH O00519 3/20 0.36
BCHE P06276 3/20 0.36
ACHE P22303 3/20 0.36
TRPV4 Q9HBA0 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTGIR P43119 3/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NAPEPLD Q6IQ20 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
SCHEMBL494025 0.91 CXCR3 (0.36) CXCR3BDKRB1FAAHBCHEACHE
SCHEMBL492852 0.89 CXCR3 (0.46) CXCR3FAAHBCHEACHEPTGIR
SCHEMBL494236 0.88 FAAH (0.37) BDKRB1FAAHBCHEACHETRPV4
SCHEMBL493317 0.88 BDKRB1 (0.40) CXCR3BDKRB1FAAHBCHEACHE
SCHEMBL493473 0.86 NAPEPLD (0.37) FAAHBCHEACHETDP1ALDH1A1
SCHEMBL493602 0.84 MAPT (0.43) CXCR3TDP1PTGIRALDH1A1LMNA
SCHEMBL492804 0.83 HTT (0.41) CXCR3PTGIRALDH1A1LMNA
SCHEMBL493359 0.83 BDKRB1 (0.36) BDKRB1TRPV4PTGIRALDH1A1LMNA
SCHEMBL493549 0.83 CXCR3 (0.49) CXCR3FAAHACHEPTGIRALDH1A1
SCHEMBL494402 0.82 BDKRB1 (0.48) BDKRB1

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 4458/4885BDKRB1 1622/4885FAAH 6/4885

“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.