SCHEMBL492489

SCHEMBL492489

CN(C)C(c1ccc(Cl)cc1)C1CCC(CCNC(=O)COCCN(C)S(=O)(=O)c2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 8/20 0.37
TRPV4 Q9HBA0 3/20 0.36
CNR2 P34972 1/20 0.36
GSTO1 P78417 1/20 0.35
PTGIR P43119 2/20 0.34
SLC9A3 P48764 1/20 0.34
CNR1 P21554 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
SCHEMBL492842 0.95 BDKRB1 (0.36) BDKRB1TRPV4CNR2GSTO1SLC9A3
SCHEMBL493359 0.92 BDKRB1 (0.36) BDKRB1TRPV4CNR2GSTO1PTGIR
SCHEMBL493366 0.91 BDKRB1 (0.38) BDKRB1PTGIRSLC9A3
SCHEMBL493332 0.91 BDKRB1 (0.36) BDKRB1TRPV4CNR2GSTO1SLC9A3
SCHEMBL493432 0.90 ALDH1A1 (0.38) BDKRB1PTGIRSLC9A3
SCHEMBL493893 0.88 BDKRB1 (0.39) BDKRB1PTGIRSLC9A3
SCHEMBL493276 0.88 TRPV4 (0.36) BDKRB1TRPV4CNR2GSTO1SLC9A3
SCHEMBL493003 0.88 TRPV4 (0.36) BDKRB1TRPV4CNR2GSTO1PTGIR
SCHEMBL492821 0.87 BDKRB1 (0.44) BDKRB1
SCHEMBL492990 0.87 UTS2R (0.36) BDKRB1PTGIRSLC9A3

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 1622/4885TRPV4 217/4885CNR2 24/4885

“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.