SCHEMBL493065

SCHEMBL493065

COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCC(C(c3ccc(F)cc3)N3CCN(C)CC3)CC2)c(C)c1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 19/20 0.68
CACNA2D1 P54289 1/20 0.47
CACNA1B Q00975 1/20 0.47
CACNB1 Q02641 1/20 0.47
CACNA1C Q13936 1/20 0.47

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
SCHEMBL493562 0.93 BDKRB1 (0.70) BDKRB1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL492538 0.92 BDKRB1 (0.65) BDKRB1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL493449 0.82 BDKRB1 (0.68) BDKRB1
SCHEMBL3995046 0.82 BDKRB1 (1.00) BDKRB1
SCHEMBL494204 0.81 BDKRB1 (0.66) BDKRB1
SCHEMBL3996039 0.81 BDKRB1 (1.00) BDKRB1
SCHEMBL494015 0.81 CACNA2D1 (0.44) BDKRB1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL3412720 0.80 BDKRB1 (0.65) BDKRB1
SCHEMBL3994443 0.80 BDKRB1 (0.82) BDKRB1
SCHEMBL493067 0.80 BDKRB1 (0.54) BDKRB1

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 1622/4885CACNA2D1 638/4885CACNA1B 1416/4885

“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.