SCHEMBL494207

SCHEMBL494207

COc1cc(C)c(S(=O)(=O)N2CCCC(OCC(=O)NC3CCC(C(c4ccccc4)N4CCN(C)CC4)CC3)C2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.39
CACNA2D1 P54289 2/20 0.39
CACNA1B Q00975 2/20 0.39
CACNB1 Q02641 2/20 0.39
CACNA1C Q13936 2/20 0.39
MCHR1 Q99705 1/20 0.37
EPHX2 P34913 1/20 0.37
CCR5 P51681 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL493289 0.96 BDKRB1 (0.40) BDKRB1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL493126 0.95 ALDH1A1 (0.39) BDKRB1MCHR1EPHX2CCR5ALDH1A1
SCHEMBL493589 0.92 MEN1 (0.39) BDKRB1EPHX2ALDH1A1LMNAGAA
SCHEMBL494103 0.91 EPHX2 (0.40) BDKRB1MCHR1EPHX2CCR5ALDH1A1
SCHEMBL492788 0.90 CACNA2D1 (0.39) BDKRB1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL492772 0.88 MEN1 (0.40) BDKRB1MCHR1EPHX2ALDH1A1SIGMAR1
SCHEMBL493670 0.87 CACNA2D1 (0.42) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL493405 0.85 ALDH1A1 (0.38) BDKRB1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL493327 0.85 EPHX2 (0.39) MCHR1EPHX2CCR5LMNAGAA
SCHEMBL494334 0.84 RAB9A (0.37) BDKRB1CACNA2D1CACNA1BCACNB1CACNA1C

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 6 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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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.