SCHEMBL492543

SCHEMBL492543

O=C(COC1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1)NCC1CCC(C(CCc2ccccc2)N2CCCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.39
ACHE P22303 8/20 0.39
BCHE P06276 6/20 0.39
ACLY P53396 2/20 0.38
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
EPHX2 P34913 1/20 0.35
SPR P35270 1/20 0.34
MAPT P10636 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
SCHEMBL493302 0.96 FAAH (0.39) FAAHACHEBCHEACLYALDH1A1
SCHEMBL493453 0.94 FAAH (0.38) FAAHACHEBCHEACLYALDH1A1
SCHEMBL493407 0.91 FAAH (0.37) FAAHACHEBCHEACLYALDH1A1
SCHEMBL493490 0.89 ALDH1A1 (0.38) ACLYALDH1A1GAAATMTSHR
SCHEMBL492870 0.88 FAAH (0.38) FAAHACHEBCHEACLYALDH1A1
SCHEMBL493567 0.87 ATM (0.39) FAAHACHEBCHEACLYALDH1A1
SCHEMBL492770 0.86 FAAH (0.41) FAAHACHEBCHEALDH1A1KDM4E
SCHEMBL493237 0.85 ALDH1A1 (0.39) ACLYALDH1A1GAAATMTDP1
SCHEMBL493203 0.84 FAAH (0.37) FAAHACHEBCHEACLYALDH1A1
SCHEMBL493539 0.83 MEN1 (0.40) ACLYALDH1A1ATMTSHR

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 52/4885BCHE 3050/4885

“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.