SCHEMBL493541

SCHEMBL493541

CN(CCOCC(=O)NCC1CCC(C(CCc2ccccc2)N2CCOCC2)CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAPEPLD Q6IQ20 15/20 0.38
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 1/20 0.36
FAAH O00519 2/20 0.35
BCHE P06276 2/20 0.35
ACHE P22303 2/20 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
SCHEMBL493640 0.94 ALDH1A1 (0.38) NAPEPLDALDH1A1MEN1KMT2ANPSR1
SCHEMBL493493 0.94 FAAH (0.36) NAPEPLDALDH1A1FAAHBCHEACHE
SCHEMBL493395 0.93 NAPEPLD (0.37) NAPEPLDALDH1A1MEN1KMT2ANPSR1
SCHEMBL493473 0.92 NAPEPLD (0.37) NAPEPLDALDH1A1MEN1KMT2ANPSR1
SCHEMBL493343 0.90 NAPEPLD (0.37) NAPEPLDALDH1A1MEN1KMT2ANPSR1
SCHEMBL493292 0.88 BDKRB1 (0.38) NAPEPLDALDH1A1FAAHBCHEACHE
SCHEMBL494433 0.88 BDKRB1 (0.47)
SCHEMBL492623 0.88 NAPEPLD (0.36) NAPEPLDMEN1KMT2AFAAHBCHE
SCHEMBL493387 0.87 GRM5 (0.36) NAPEPLDFAAHBCHEACHE
SCHEMBL494025 0.86 CXCR3 (0.36) NAPEPLDALDH1A1FAAHBCHEACHE

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 NAPEPLD 10/4885ALDH1A1 1349/4885MEN1 4132/4885

“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.