SCHEMBL1086453

SCHEMBL1086453

N#Cc1ccccc1CN1CC2(CCN(C(=O)c3ccccn3)CC2)OC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
CCR8 P51685 1/20 0.42
KCNH2 Q12809 1/20 0.42
EPHX2 P34913 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
CFTR P13569 1/20 0.39
NPY5R Q15761 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MGLL Q99685 1/20 0.37
HIF1A Q16665 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL1087072 0.86 POLB (0.39) SIRT2SIRT1ALDH1A1MGLLHCRTR1
SCHEMBL1086206 0.86 RIPK1 (0.48) L3MBTL1CCR8KCNH2EPHX2NPY5R
SCHEMBL1086826 0.85 ALDH1A1 (0.49) EPHX2JAK2JAK1SIRT2SIRT1
SCHEMBL1086313 0.84 SIRT2 (0.44) SIRT2SIRT1ALDH1A1HCRTR1HCRTR2
SCHEMBL1086965 0.84 L3MBTL1 (0.44) L3MBTL1CCR8KCNH2EPHX2JAK2
SCHEMBL1086261 0.82 FNTA (0.39) KCNH2SIRT2SIRT1ALDH1A1MGLL
SCHEMBL1086095 0.82 PARP1 (0.38) CCR8KCNH2ALDH1A1MGLLKDM4E
SCHEMBL1086613 0.82 HTT (0.40) L3MBTL1SIRT2SIRT1ALDH1A1KDM4E
SCHEMBL1086241 0.80 GAA (0.49) L3MBTL1CCR8KCNH2EPHX2CYP2C9
SCHEMBL1086541 0.79 RIPK1 (0.41) KCNH2SIRT2SIRT1KDM4E

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-8153795-B2 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-compounds and the use thereof for producing drugs GRUENENTHAL GMBH (DE) 2012-04-10 US claimed
EP-1910381-B1 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-06-03 EP claimed
US-20090105290-A1 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-Compounds and the Use Thereof for Producing Drugs GRUENENTHAL GMBH (DE) 2009-04-23 US claimed
US-8153795-B2 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-compounds and the use thereof for producing drugs GRUENENTHAL GMBH (DE) 2012-04-10 US disclosed
EP-1910381-B1 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-06-03 EP disclosed
US-20090105290-A1 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-Compounds and the Use Thereof for Producing Drugs GRUENENTHAL GMBH (DE) 2009-04-23 US disclosed
EP-1910381-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-04-16 EP disclosed
WO-2007000325-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-01-04 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-20090105290-A1 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-Compounds and the Use Thereof for Producing Drugs DDO, DAO, OTC L3MBTL1 4257/4885CCR8 635/4885KCNH2 2136/4885

“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.