SCHEMBL1086124

SCHEMBL1086124

Cc1cc(CS(=O)(=O)N2CCC3(CC2)CN(Cc2ccccc2-c2ccccc2)C(=O)O3)c(C)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 4/20 0.37
ALDH1A1 P00352 3/20 0.35
TACR2 P21452 1/20 0.35
TACR1 P25103 1/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
LMNA P02545 1/20 0.33
OPRD1 P41143 1/20 0.33
HTR7 P34969 1/20 0.32
OPRM1 P35372 1/20 0.32
KCNH2 Q12809 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL1086180 0.89 TACR2 (0.43) SSTR5ALDH1A1TACR2TACR1TSHR
SCHEMBL1086342 0.84 TACR2 (0.36) SSTR5TACR2TACR1GRIN1GRIN2B
SCHEMBL1086385 0.83 TACR2 (0.39) ALDH1A1TACR2TACR1MAPTKDM4E
SCHEMBL1086452 0.82 OPRD1 (0.38) ALDH1A1TACR2TACR1TSHRKDM4E
SCHEMBL1086457 0.80 SSTR5 (0.37) SSTR5ALDH1A1TACR2TACR1KDM4E
SCHEMBL1086221 0.78 TACR2 (0.34) SSTR5TACR2TACR1GRIN1GRIN2B
SCHEMBL1086150 0.77 OPRD1 (0.36) ALDH1A1TACR2TACR1TSHRKDM4E
SCHEMBL1086291 0.77 ALDH1A1 (0.46) ALDH1A1TACR2TACR1MAPTTSHR
SCHEMBL1087046 0.74 TACR2 (0.41) ALDH1A1TACR2TACR1MAPTKMT2A
SCHEMBL1085731 0.74 TACR2 (0.43) ALDH1A1TACR2TACR1MAPTTSHR

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 SSTR5 413/4885ALDH1A1 220/4885TACR2 1923/4885

“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.