SCHEMBL1086150

SCHEMBL1086150

CCC(C)(C)c1ccc(CS(=O)(=O)N2CCC3(CC2)CN(Cc2ccccc2-c2ccccc2)C(=O)O3)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.36
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NEK2 P51955 1/20 0.34
TACR2 P21452 1/20 0.33
TACR1 P25103 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
RORC P51449 2/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL1086311 0.89 KDM4E (0.41) OPRD1ALDH1A1KDM4ETACR2TACR1
SCHEMBL1086452 0.88 OPRD1 (0.38) OPRD1ALDH1A1KDM4ENEK2TACR2
SCHEMBL1086436 0.86 OPRD1 (0.34) OPRD1GRIN1GRIN2BALDH1A1KDM4E
SCHEMBL1086461 0.83 OPRD1 (0.35) OPRD1GRIN1GRIN2BALDH1A1KDM4E
SCHEMBL1085953 0.83 GRIN1 (0.37) OPRD1GRIN1GRIN2BALDH1A1KDM4E
SCHEMBL1086385 0.80 TACR2 (0.39) OPRD1ALDH1A1KDM4ETACR2TACR1
SCHEMBL1086124 0.77 SSTR5 (0.37) OPRD1GRIN1GRIN2BALDH1A1KDM4E
SCHEMBL1085900 0.77 KMT2A (0.37) ALDH1A1KDM4ETACR1LMNASMN1; SMN2
SCHEMBL1086737 0.73 TACR2 (0.51) OPRD1TACR2TACR1HPGDTSHR
SCHEMBL1085731 0.73 TACR2 (0.43) OPRD1ALDH1A1KDM4ETACR2TACR1

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 OPRD1 52/4885GRIN1 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.