SCHEMBL1086248

SCHEMBL1086248

O=C1OC2(CCN(C(=O)c3cccc(F)c3)CC2)CN1Cc1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.55
CYP2D6 P10635 7/20 0.52
ALDH1A1 P00352 7/20 0.52
CYP3A4 P08684 7/20 0.52
USP2 O75604 6/20 0.52
CYP1A2 P05177 4/20 0.52
HIF1A Q16665 3/20 0.52
TSHR P16473 3/20 0.52
MAPK1 P28482 4/20 0.50
RECQL P46063 1/20 0.48
HSD17B10 Q99714 3/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47

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
SCHEMBL1086375 0.90 RIPK1 (0.53) RIPK1CYP2D6ALDH1A1CYP3A4USP2
SCHEMBL1086769 0.88 CYP2D6 (0.64) RIPK1CYP2D6ALDH1A1CYP3A4USP2
SCHEMBL1086392 0.88 RIPK1 (0.53) RIPK1CYP2D6ALDH1A1CYP3A4TSHR
SCHEMBL1086305 0.85 CYP2D6 (0.51) CYP2D6ALDH1A1CYP3A4USP2CYP1A2
SCHEMBL1086246 0.85 RIPK1 (0.49) RIPK1CYP2D6ALDH1A1CYP3A4CYP1A2
SCHEMBL1085767 0.83 RIPK1 (0.52) RIPK1CYP2D6ALDH1A1CYP3A4CYP1A2
SCHEMBL1085734 0.83 RIPK1 (0.48) RIPK1CYP2D6ALDH1A1CYP3A4CYP1A2
SCHEMBL1086067 0.83 MEN1 (0.59) CYP2D6ALDH1A1CYP3A4USP2CYP1A2
SCHEMBL4258714 0.82 RIPK1 (0.48) RIPK1CYP2D6ALDH1A1CYP3A4CYP1A2
SCHEMBL1086418 0.82 RIPK1 (0.48) RIPK1CYP2D6ALDH1A1CYP3A4CYP1A2

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 10 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
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 claimed
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 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 3721/4885CYP2D6 42/4885ALDH1A1 220/4885

“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.