SCHEMBL493366

SCHEMBL493366

CN(C)C(c1ccc(Cl)cc1)C1CCC(CCNC(=O)COCCN(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 11/20 0.38
SLC9A3 P48764 4/20 0.35
PTGIR P43119 2/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 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
SCHEMBL493047 0.95 BDKRB1 (0.37) BDKRB1SLC9A3
SCHEMBL493893 0.94 BDKRB1 (0.39) BDKRB1SLC9A3PTGIRALDH1A1LMNA
SCHEMBL493109 0.92 SLC9A3 (0.35) BDKRB1SLC9A3PTGIRALDH1A1LMNA
SCHEMBL492489 0.91 BDKRB1 (0.37) BDKRB1SLC9A3PTGIR
SCHEMBL492821 0.91 BDKRB1 (0.44) BDKRB1
SCHEMBL493432 0.90 ALDH1A1 (0.38) BDKRB1SLC9A3PTGIRALDH1A1LMNA
SCHEMBL492577 0.90 SLC9A3 (0.36) BDKRB1SLC9A3PTGIR
SCHEMBL493353 0.89 BDKRB1 (0.52) BDKRB1
SCHEMBL493431 0.88 BDKRB1 (0.38) BDKRB1SLC9A3PTGIR
SCHEMBL492990 0.87 UTS2R (0.36) BDKRB1SLC9A3PTGIRALDH1A1LMNA

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 6 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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 1622/4885SLC9A3 2717/4885PTGIR 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.