SCHEMBL1086010

SCHEMBL1086010

COc1cc(C)c(CS(=O)(=O)N2CCC3(CC2)CN(Cc2ccccc2F)C(=O)O3)c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.36
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
CYP2D6 P10635 3/20 0.35
KCNH2 Q12809 2/20 0.35
OPRM1 P35372 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MAPT P10636 3/20 0.34
CYP2C9 P11712 2/20 0.34
ACHE P22303 1/20 0.34
TACR2 P21452 1/20 0.34
TACR1 P25103 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL1086530 0.88 PKM (0.35) CYP2D6OPRM1CYP2C9CYP3A4CYP2C19
SCHEMBL1086104 0.84 SSTR5 (0.32) GRIN1GRIN2BMAPTALDH1A1TSHR
SCHEMBL1086364 0.76 TACR2 (0.40) CYP2D6KCNH2OPRM1SIGMAR1MAPT
SCHEMBL1086205 0.74 TP53 (0.45) CYP2D6MAPTCYP2C9ALDH1A1KDM4E
SCHEMBL1085770 0.70 TACR1 (0.40) CYP2D6MAPTCYP2C9TACR1ALDH1A1
SCHEMBL1086103 0.69 TP53 (0.39)
SCHEMBL4258714 0.69 RIPK1 (0.48) CYP2D6KCNH2OPRM1SIGMAR1MAPT
SCHEMBL1086659 0.69 MEN1 (0.51) MAPTTACR2TACR1ALDH1A1KDM4E
SCHEMBL1086291 0.69 ALDH1A1 (0.46) MAPTTACR2TACR1ALDH1A1KDM4E
SCHEMBL1475389 0.69 SSTR5 (0.44) CYP2D6KCNH2OPRM1SIGMAR1MAPT

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 P2RX7 228/4885GRIN1 238/4885GRIN2B 980/4885

“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.