SCHEMBL493625

SCHEMBL493625

CN(CCOCC(=O)NC1CCC(C(CCc2ccccc2)N2CCCCC2)CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
MCHR1 Q99705 1/20 0.35
MAPT P10636 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
BDKRB1 P46663 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 2/20 0.34
RAB9A P51151 1/20 0.34
GAA P10253 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
SCHEMBL492892 0.94 BDKRB1 (0.39) L3MBTL1ALDH1A1TDP1MAPTSIGMAR1
SCHEMBL493343 0.93 NAPEPLD (0.37) L3MBTL1ALDH1A1MCHR1SIGMAR1BDKRB1
SCHEMBL492747 0.93 LMNA (0.37) L3MBTL1ALDH1A1TDP1SIGMAR1SMN1; SMN2
SCHEMBL493134 0.92 MCHR1 (0.38) L3MBTL1ALDH1A1TDP1MCHR1MAPT
SCHEMBL493493 0.89 FAAH (0.36) ALDH1A1BDKRB1
SCHEMBL493339 0.87 BDKRB1 (0.49) BDKRB1
SCHEMBL492761 0.87 ALDH1A1 (0.39) L3MBTL1ALDH1A1SIGMAR1BDKRB1SMN1; SMN2
SCHEMBL492596 0.87 ALDH1A1 (0.37) L3MBTL1ALDH1A1TDP1BDKRB1SMN1; SMN2
SCHEMBL492975 0.86 CACNA2D1 (0.37) L3MBTL1ALDH1A1TDP1BDKRB1SMN1; SMN2
SCHEMBL492785 0.86 NAPEPLD (0.35) L3MBTL1ALDH1A1SIGMAR1SMN1; SMN2KMT2A

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 L3MBTL1 4753/4885ALDH1A1 1349/4885TDP1 3893/4885

“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.