SCHEMBL493595

SCHEMBL493595

O=C(COCC1CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)NCC1CCC(C(CCc2ccccc2)N2CCCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.38
ACHE P22303 7/20 0.38
BCHE P06276 5/20 0.38
FKBP1A P62942 6/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL493272 0.99 FAAH (0.38) FAAHACHEBCHEFKBP1AKDM4E
SCHEMBL493550 0.95 FAAH (0.36) FAAHACHEBCHEFKBP1AKDM4E
SCHEMBL493411 0.93 FAAH (0.36) FAAHACHEBCHEKDM4EALDH1A1
SCHEMBL493587 0.89 ALDH1A1 (0.37) FKBP1AALDH1A1
SCHEMBL493340 0.88 L3MBTL1 (0.36) FKBP1AALDH1A1
SCHEMBL493567 0.87 ATM (0.39) FAAHACHEBCHEKDM4EALDH1A1
SCHEMBL493455 0.87 PTGIR (0.37) FAAHACHEBCHE
SCHEMBL494616 0.87 FAAH (0.40) FAAHACHEBCHEFKBP1AKDM4E
SCHEMBL493746 0.85 PTGIR (0.37) FAAHACHEBCHE
SCHEMBL492876 0.85 FAAH (0.40) FAAHACHEBCHEKDM4EALDH1A1

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 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.