SCHEMBL492771

SCHEMBL492771

CN(CCOCC(=O)NC1CCC(C(c2ccccc2)N2CCOCC2)CC1)S(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CNR2 P34972 3/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNB1 Q02641 1/20 0.36
CACNA1C Q13936 1/20 0.36
MCHR1 Q99705 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
THRB P10828 1/20 0.34
GALR3 O60755 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BDKRB1 P46663 2/20 0.34
MAPT P10636 1/20 0.34
CNR1 P21554 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
SCHEMBL493689 0.94 CACNA2D1 (0.37) MEN1KMT2ACNR2CACNA2D1CACNA1B
SCHEMBL493216 0.92 CACNA2D1 (0.43) CNR2CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL493013 0.91 MEN1 (0.37) MEN1KMT2ACNR2CACNA2D1CACNA1B
SCHEMBL493425 0.90 CNR2 (0.37) MEN1KMT2ACNR2CACNA2D1CACNA1B
SCHEMBL493326 0.88 MEN1 (0.38) MEN1KMT2ACACNA2D1CACNA1BCACNB1
SCHEMBL493228 0.88 MCHR1 (0.37) MEN1KMT2ACNR2MCHR1SIGMAR1
SCHEMBL492458 0.86 MAPT (0.38) MEN1KMT2AMCHR1SIGMAR1RAB9A
SCHEMBL493151 0.85 TACR1 (0.37) MEN1KMT2AMCHR1CYP3A4CYP2C19
SCHEMBL492975 0.84 CACNA2D1 (0.37) MEN1KMT2ACNR2CACNA2D1CACNA1B
SCHEMBL493402 0.84 KMT2A (0.37) MEN1KMT2ACACNA2D1CACNA1BCACNB1

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 MEN1 4132/4885KMT2A 1749/4885CNR2 24/4885

“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.