SCHEMBL493683

SCHEMBL493683

COc1cc(C)c(S(=O)(=O)N2CCC(OCC(=O)NCC3CCC(C(c4ccc(Cl)cc4)N(C)C)CC3)C2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.39
FAAH O00519 2/20 0.35
ACHE P22303 2/20 0.35
BCHE P06276 1/20 0.35
HTT P42858 2/20 0.35
GAA P10253 1/20 0.35
FPR2 P25090 5/20 0.34
PROKR1 Q8TCW9 5/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.34
BDKRB1 P46663 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
SCHEMBL494055 0.94 EPHX2 (0.38) EPHX2HTTGAAFPR2PROKR1
SCHEMBL493421 0.94 EPHX2 (0.46) EPHX2FAAHACHEBCHEHTT
SCHEMBL493320 0.93 KMT2A (0.40) EPHX2FAAHACHEMEN1KMT2A
SCHEMBL492702 0.93 EPHX2 (0.41) EPHX2FAAHACHEBCHEMEN1
SCHEMBL493706 0.91 EPHX2 (0.47) EPHX2FPR2PROKR1
SCHEMBL494220 0.88 EPHX2 (0.36) EPHX2FAAHACHEMEN1ALDH1A1
SCHEMBL493258 0.88 EPHX2 (0.44) EPHX2HTTGAAFPR2PROKR1
SCHEMBL493381 0.87 KMT2A (0.44) FAAHACHEBCHEHTTGAA
SCHEMBL492889 0.87 EPHX2 (0.44) EPHX2GAAMEN1ALDH1A1LMNA
SCHEMBL493742 0.86 KMT2A (0.40) EPHX2MEN1KMT2ABDKRB1

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 EPHX2 2567/4885FAAH 6/4885ACHE 52/4885

“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.