SCHEMBL1086608

SCHEMBL1086608

N#Cc1ccccc1CN1CC2(CCN(Cc3ccc(Cl)cc3)CC2)OC1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.42
CHRM3 P20309 5/20 0.42
TACR2 P21452 1/20 0.41
TACR1 P25103 1/20 0.41
SIGMAR1 Q99720 3/20 0.40
OPRM1 P35372 1/20 0.40
CHRM1 P11229 1/20 0.39
GPR183 P32249 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38

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
SCHEMBL1086225 0.83 SMN1; SMN2 (0.46) TACR2TACR1CHRM1
SCHEMBL1086313 0.80 SIRT2 (0.44) TACR2TACR1SIGMAR1OPRM1SIRT2
SCHEMBL1087072 0.75 POLB (0.39) OPRM1SIRT2SIRT1
SCHEMBL1086098 0.75 RIPK1 (0.39) TACR2TACR1SIGMAR1SIRT2SIRT1
SCHEMBL1086613 0.75 HTT (0.40) OPRM1SIRT2SIRT1
SCHEMBL1086453 0.74 L3MBTL1 (0.44) SIRT2SIRT1
SCHEMBL1086595 0.74 SIRT2 (0.41) TACR1OPRM1SIRT2SIRT1
SCHEMBL1085983 0.73 SIRT2 (0.39) OPRM1SIRT2SIRT1
SCHEMBL1086436 0.73 OPRD1 (0.34) TACR2TACR1OPRM1SIRT2SIRT1
SCHEMBL1085760 0.73 ALDH1A1 (0.51) SIGMAR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 CHRM2 2723/4885CHRM3 1435/4885TACR2 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.