SCHEMBL492808

SCHEMBL492808

COc1cc(C)c(S(=O)(=O)N2CCC(OCC(=O)NCC3CCC(C(CCc4ccccc4)N4CCOCC4)CC3)C2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.39
ACHE P22303 3/20 0.39
EPHX2 P34913 3/20 0.39
ALDH1A1 P00352 4/20 0.37
HTT P42858 1/20 0.37
POLB P06746 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
BCHE P06276 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
NAPEPLD Q6IQ20 1/20 0.35

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
SCHEMBL493125 0.96 POLB (0.39) FAAHACHEEPHX2ALDH1A1HTT
SCHEMBL492770 0.94 FAAH (0.41) FAAHACHEEPHX2ALDH1A1POLB
SCHEMBL492760 0.91 POLB (0.41) FAAHACHEEPHX2ALDH1A1POLB
SCHEMBL494280 0.91 MEN1 (0.38) EPHX2ALDH1A1HTTPOLBSMN1; SMN2
SCHEMBL492583 0.89 EPHX2 (0.40) FAAHACHEEPHX2ALDH1A1POLB
SCHEMBL493324 0.88 POLB (0.39) FAAHACHEEPHX2ALDH1A1POLB
SCHEMBL493453 0.87 FAAH (0.38) FAAHACHEALDH1A1HTTPOLB
SCHEMBL493190 0.87 POLB (0.38) EPHX2ALDH1A1HTTPOLBMEN1
SCHEMBL492863 0.86 FAAH (0.41) FAAHACHEEPHX2ALDH1A1POLB
SCHEMBL492660 0.85 POLB (0.37) FAAHACHEEPHX2ALDH1A1POLB

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

“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.