SCHEMBL493359

SCHEMBL493359

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 6/20 0.36
TRPV4 Q9HBA0 3/20 0.35
CNR2 P34972 3/20 0.35
CNR1 P21554 3/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
GSTO1 P78417 1/20 0.34
PTGIR P43119 1/20 0.34

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
SCHEMBL493003 0.95 TRPV4 (0.36) BDKRB1TRPV4CNR2GSTO1PTGIR
SCHEMBL492489 0.92 BDKRB1 (0.37) BDKRB1TRPV4CNR2CNR1GSTO1
SCHEMBL493109 0.91 SLC9A3 (0.35) BDKRB1ALDH1A1LMNAPTGIR
SCHEMBL492558 0.90 HTR7 (0.35) BDKRB1TRPV4CNR2PTGIR
SCHEMBL493519 0.89 LMNA (0.40) ALDH1A1LMNAPTGIR
SCHEMBL493380 0.88 BDKRB1 (0.40) BDKRB1ALDH1A1LMNAPTGIR
SCHEMBL492753 0.88 TRPV4 (0.36) BDKRB1TRPV4CNR2ALDH1A1LMNA
SCHEMBL492842 0.88 BDKRB1 (0.36) BDKRB1TRPV4CNR2GSTO1
SCHEMBL493177 0.86 ALDH1A1 (0.38) ALDH1A1LMNAPTGIR
SCHEMBL493506 0.86 PTGIR (0.35) BDKRB1PTGIR

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.