SCHEMBL1086706

SCHEMBL1086706

O=C(O)COCC(=O)N1CCC2(CC1)CN(Cc1ccc(F)c(F)c1)C(=O)O2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.39
TACR1 P25103 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.36
GRIN1 Q05586 4/20 0.36
GRIN2B Q13224 4/20 0.36
GRM2 Q14416 1/20 0.36
SSTR5 P35346 2/20 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
SCHEMBL1086310 0.88 GRIN1 (0.37) TACR2TACR1GRIN1GRIN2BSSTR5
SCHEMBL1086172 0.87 TACR2 (0.42) TACR2TACR1ALDH1A1TSHRL3MBTL1
SCHEMBL1085780 0.86 KMT2A (0.38) TACR2TACR1ALDH1A1TSHRL3MBTL1
SCHEMBL1086645 0.84 POLB (0.41) ITGB3ITGA2BALDH1A1L3MBTL1GRM2
SCHEMBL1086610 0.84 HSD11B1 (0.47) TACR2TACR1TSHRSSTR5
SCHEMBL1086543 0.84 ITGB3 (0.39) TACR2TACR1ITGB3ITGA2BGRIN1
SCHEMBL1086781 0.83 TACR2 (0.40) TACR2TACR1GRIN1GRIN2BGRM2
SCHEMBL1086782 0.83 TACR2 (0.42) TACR2TACR1GRIN1GRIN2BGRM2
SCHEMBL1085951 0.82 FKBP1A (0.52) ALDH1A1TSHR
SCHEMBL1086389 0.81 TACR2 (0.38) TACR2TACR1ALDH1A1TSHRL3MBTL1

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
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

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 TACR2 1923/4885TACR1 1796/4885ITGB3 1279/4885

“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.