SCHEMBL493228

SCHEMBL493228

CN(CCOCC(=O)NC1CCC(C(CCc2ccccc2)N2CCOCC2)CC1)S(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
NAPEPLD Q6IQ20 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.36
CNR2 P34972 2/20 0.35
NR2F2 P24468 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
SLC6A12 P48065 1/20 0.33

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
SCHEMBL493134 0.93 MCHR1 (0.38) MCHR1SIGMAR1ALDH1A1NR2F2TDP1
SCHEMBL493343 0.92 NAPEPLD (0.37) MCHR1SIGMAR1NAPEPLDALDH1A1HTT
SCHEMBL493473 0.91 NAPEPLD (0.37) NAPEPLDALDH1A1CNR2TDP1KMT2A
SCHEMBL492761 0.89 ALDH1A1 (0.39) SIGMAR1NAPEPLDALDH1A1HTTKMT2A
SCHEMBL492771 0.88 MEN1 (0.38) MCHR1SIGMAR1CNR2KMT2AMEN1
SCHEMBL492785 0.86 NAPEPLD (0.35) SIGMAR1NAPEPLDALDH1A1HTTKMT2A
SCHEMBL493625 0.85 L3MBTL1 (0.36) MCHR1SIGMAR1ALDH1A1TDP1KMT2A
SCHEMBL494236 0.84 FAAH (0.37) NAPEPLDTDP1
SCHEMBL493573 0.84 BDKRB1 (0.48)
SCHEMBL493541 0.82 NAPEPLD (0.38) NAPEPLDALDH1A1HTTKMT2AMEN1

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 MCHR1 4667/4885SIGMAR1 84/4885NAPEPLD 10/4885

“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.