SCHEMBL492892

SCHEMBL492892

CN(CCOCC(=O)NC1CCC(C(CCc2ccccc2)N2CCCCC2)CC1)S(=O)(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.39
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SIGMAR1 Q99720 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.34
FKBP1A P62942 2/20 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
SCHEMBL493625 0.94 L3MBTL1 (0.36) BDKRB1ALDH1A1MAPTL3MBTL1SIGMAR1
SCHEMBL492761 0.93 ALDH1A1 (0.39) BDKRB1ALDH1A1L3MBTL1SIGMAR1KMT2A
SCHEMBL492747 0.91 LMNA (0.37) ALDH1A1L3MBTL1SIGMAR1TDP1POLB
SCHEMBL493292 0.89 BDKRB1 (0.38) BDKRB1ALDH1A1MAPT
SCHEMBL493134 0.89 MCHR1 (0.38) ALDH1A1MAPTL3MBTL1SIGMAR1TDP1
SCHEMBL493343 0.87 NAPEPLD (0.37) BDKRB1ALDH1A1L3MBTL1SIGMAR1KMT2A
SCHEMBL493339 0.87 BDKRB1 (0.49) BDKRB1
SCHEMBL492867 0.86 BDKRB1 (0.39) BDKRB1ALDH1A1L3MBTL1TDP1KMT2A
SCHEMBL492785 0.84 NAPEPLD (0.35) ALDH1A1L3MBTL1SIGMAR1KMT2AMEN1
SCHEMBL493493 0.83 FAAH (0.36) BDKRB1ALDH1A1

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 BDKRB1 1622/4885ALDH1A1 1349/4885MAPT 1653/4885

“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.