SCHEMBL492864

SCHEMBL492864

CN(C)C(CCc1ccccc1)C1CCC(CNC(=O)COC2CCCCC2N(C)S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
CXCR3 P49682 4/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
SPPL2A Q8TCT8 2/20 0.34
FAAH O00519 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 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
SCHEMBL492893 0.87 SPPL2A (0.40) KMT2AMEN1GAASPPL2APSEN1
SCHEMBL492674 0.84 KMT2A (0.37) KMT2ACXCR3MEN1GAASMN1; SMN2
SCHEMBL493145 0.83 ALDH1A1 (0.35) KMT2AMEN1GAASPPL2APSEN1
SCHEMBL492897 0.83 KMT2A (0.36) KMT2AMEN1GAASPPL2APSEN1
SCHEMBL493357 0.82 PSEN1 (0.36) KMT2AMEN1GAAHTTSPPL2A
SCHEMBL493786 0.79 FKBP1A (0.40) MMP9FAAHBCHEACHE
SCHEMBL494439 0.78 HTR7 (0.39) MMP9FAAHBCHEACHE
SCHEMBL642945 0.77 CXCR3 (0.43) KMT2ACXCR3MEN1HTTSMN1; SMN2
SCHEMBL492584 0.77 PSEN1 (0.34) KMT2AMEN1GAAHTTSMN1; SMN2
SCHEMBL492539 0.77 KMT2A (0.43) KMT2AMEN1GAASMN1; SMN2SPPL2A

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 KMT2A 1749/4885CXCR3 4458/4885MEN1 4132/4885

“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.