SCHEMBL1086392

SCHEMBL1086392

COc1cccc(C(=O)N2CCC3(CC2)CN(Cc2ccccc2F)C(=O)O3)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.53
ALDH1A1 P00352 7/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
CYP2D6 P10635 3/20 0.47
LMNA P02545 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
HSD11B1 P28845 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44

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
SCHEMBL1086248 0.88 RIPK1 (0.55) RIPK1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1086375 0.86 RIPK1 (0.53) RIPK1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1087034 0.83 L3MBTL1 (0.48) RIPK1ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL1086149 0.81 L3MBTL1 (0.47) RIPK1ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL1086246 0.81 RIPK1 (0.49) RIPK1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4258714 0.81 RIPK1 (0.48) RIPK1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1085767 0.80 RIPK1 (0.52) RIPK1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1085734 0.79 RIPK1 (0.48) RIPK1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1086418 0.79 RIPK1 (0.48) RIPK1ALDH1A1KDM4ECYP2D6LMNA
SCHEMBL1799247 0.78 ALDH1A1 (0.53) RIPK1ALDH1A1L3MBTL1KDM4EMEN1

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 RIPK1 3721/4885ALDH1A1 220/4885L3MBTL1 4257/4885

“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.