SCHEMBL493473

SCHEMBL493473

CN(CCOCC(=O)NCC1CCC(C(CCc2ccccc2)N2CCOCC2)CC1)S(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAPEPLD Q6IQ20 12/20 0.37
CNR2 P34972 2/20 0.36
FAAH O00519 2/20 0.36
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL494236 0.94 FAAH (0.37) NAPEPLDFAAHBCHEACHETDP1
SCHEMBL493541 0.92 NAPEPLD (0.38) NAPEPLDFAAHBCHEACHEMEN1
SCHEMBL493228 0.91 MCHR1 (0.37) NAPEPLDCNR2TDP1MEN1ALDH1A1
SCHEMBL493640 0.89 ALDH1A1 (0.38) NAPEPLDFAAHBCHEACHEMEN1
SCHEMBL493425 0.88 CNR2 (0.37) NAPEPLDCNR2FAAHBCHEACHE
SCHEMBL493395 0.86 NAPEPLD (0.37) NAPEPLDFAAHBCHEACHEMEN1
SCHEMBL493427 0.86 CXCR3 (0.37) NAPEPLDFAAHBCHEACHETDP1
SCHEMBL493493 0.86 FAAH (0.36) NAPEPLDFAAHBCHEACHEALDH1A1
SCHEMBL494433 0.84 BDKRB1 (0.47)
SCHEMBL493134 0.84 MCHR1 (0.38) TDP1MEN1ALDH1A1KMT2A

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 10/4885CNR2 24/4885FAAH 6/4885

“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.