SCHEMBL493893

SCHEMBL493893

CN(C)C(c1ccc(Cl)cc1)C1CCC(CCNC(=O)COCCN(C)S(=O)(=O)c2c(Cl)cccc2Cl)CC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 9/20 0.39
PTGIR P43119 3/20 0.36
SLC9A3 P48764 3/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.32

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
SCHEMBL493431 0.94 BDKRB1 (0.38) BDKRB1PTGIRSLC9A3KMT2A
SCHEMBL493366 0.94 BDKRB1 (0.38) BDKRB1PTGIRSLC9A3ALDH1A1LMNA
SCHEMBL493380 0.92 BDKRB1 (0.40) BDKRB1PTGIRSLC9A3ALDH1A1MEN1
SCHEMBL493432 0.90 ALDH1A1 (0.38) BDKRB1PTGIRSLC9A3ALDH1A1MEN1
SCHEMBL492894 0.89 BDKRB1 (0.37) BDKRB1SLC9A3
SCHEMBL492821 0.89 BDKRB1 (0.44) BDKRB1MEN1KMT2A
SCHEMBL493047 0.88 BDKRB1 (0.37) BDKRB1SLC9A3KMT2A
SCHEMBL492489 0.88 BDKRB1 (0.37) BDKRB1PTGIRSLC9A3
SCHEMBL493353 0.88 BDKRB1 (0.52) BDKRB1
SCHEMBL492990 0.87 UTS2R (0.36) BDKRB1PTGIRSLC9A3ALDH1A1KMT2A

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 1622/4885PTGIR 121/4885SLC9A3 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.