SCHEMBL1086209

SCHEMBL1086209

O=C(O)N1CCC2(CC1)CN(Cc1ccc(I)cc1)C(=O)O2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.42
TACR2 P21452 1/20 0.40
TACR1 P25103 1/20 0.40
RIPK1 Q13546 1/20 0.39
HSD11B1 P28845 1/20 0.37
FAAH O00519 1/20 0.37
SSTR5 P35346 1/20 0.37
CCR5 P51681 1/20 0.36
SIGMAR1 Q99720 3/20 0.36
OPRM1 P35372 1/20 0.36

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
SCHEMBL1085855 0.89 RIPK1 (0.49) GRM2TACR2TACR1RIPK1HSD11B1
SCHEMBL18445998 0.88 TACR2 (0.48) GRM2TACR2TACR1HSD11B1
SCHEMBL1086607 0.88 TSHR (0.47) GRM2TACR2TACR1RIPK1HSD11B1
SCHEMBL1085842 0.85 CYP2D6 (0.48) GRM2
SCHEMBL1086258 0.85 MGLL (0.43) GRM2TACR2TACR1FAAHSSTR5
SCHEMBL1086230 0.84 RIPK1 (0.49) RIPK1
SCHEMBL1086286 0.82 RXFP1 (0.42) TACR2TACR1RIPK1CCR5
SCHEMBL1086172 0.82 TACR2 (0.42) GRM2TACR2TACR1SSTR5SIGMAR1
SCHEMBL1086423 0.82 TACR2 (0.39) GRM2TACR2TACR1RIPK1SSTR5
SCHEMBL3071184 0.82 GRM2 (0.52) GRM2TACR2TACR1HSD11B1

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 5 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
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

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 GRM2 389/4885TACR2 1923/4885TACR1 1796/4885

“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.