SCHEMBL493080

SCHEMBL493080

COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)NCCC2CCC(C(c3cccs3)N(C)C)CC2)c(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 17/20 0.42
ALOX5 P09917 1/20 0.35
KDM4E B2RXH2 1/20 0.34
AVPR1B P47901 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
SCHEMBL492502 0.93 BDKRB1 (0.39) BDKRB1ALOX5KDM4E
SCHEMBL492786 0.93 BDKRB1 (0.34) BDKRB1ALOX5KDM4EAVPR1B
SCHEMBL492795 0.92 BDKRB1 (0.51) BDKRB1
SCHEMBL493308 0.90 AVPR1B (0.37) BDKRB1KDM4EAVPR1B
SCHEMBL493214 0.90 BDKRB1 (0.43) BDKRB1
SCHEMBL493374 0.88 EPHX2 (0.42) BDKRB1KDM4EAVPR1B
SCHEMBL493207 0.86 BDKRB1 (0.42) BDKRB1
SCHEMBL492944 0.86 BDKRB1 (0.42) BDKRB1
SCHEMBL493671 0.86 BDKRB1 (0.41) BDKRB1AVPR1B
SCHEMBL492843 0.86 KDM4E (0.34) BDKRB1ALOX5KDM4EAVPR1B

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 1622/4885ALOX5 340/4885KDM4E 2178/4885

“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.