SCHEMBL493411

SCHEMBL493411

O=C(COCC1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)NCC1CCC(C(CCc2ccccc2)N2CCOCC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.36
ACHE P22303 5/20 0.36
BCHE P06276 4/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NAPEPLD Q6IQ20 2/20 0.35
DRD2 P14416 2/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 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
SCHEMBL493550 0.98 FAAH (0.36) FAAHACHEBCHEALDH1A1SMN1; SMN2
SCHEMBL493272 0.95 FAAH (0.38) FAAHACHEBCHEALDH1A1KDM4E
SCHEMBL493595 0.93 FAAH (0.38) FAAHACHEBCHEALDH1A1KDM4E
SCHEMBL493548 0.91 MEN1 (0.36) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL493032 0.89 ATM (0.38) FAAHACHEBCHEALDH1A1SMN1; SMN2
SCHEMBL493127 0.89 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL493458 0.88 THRB (0.36) FAAHACHEBCHESMN1; SMN2NAPEPLD
SCHEMBL492959 0.88 DRD2 (0.38) FAAHACHEBCHEALDH1A1DRD2
SCHEMBL493739 0.86 FAAH (0.37) FAAHACHEBCHEALDH1A1NAPEPLD
SCHEMBL492921 0.86 THRB (0.35) FAAHACHEBCHEALDH1A1SMN1; SMN2

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.