SCHEMBL1086607

SCHEMBL1086607

Cc1ccc(CN2CC3(CCN(C(=O)O)CC3)OC2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
GRM2 Q14416 1/20 0.42
TACR2 P21452 1/20 0.40
TACR1 P25103 1/20 0.40
HSD11B1 P28845 1/20 0.40
RIPK1 Q13546 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL1086845 0.89 TSHR (0.46) TSHRLMNASMN1; SMN2GRM2TACR2
SCHEMBL1086846 0.89 TSHR (0.43) TSHRLMNASMN1; SMN2GRM2TACR2
SCHEMBL1085855 0.89 RIPK1 (0.49) GRM2TACR2TACR1HSD11B1RIPK1
SCHEMBL1086209 0.88 GRM2 (0.42) GRM2TACR2TACR1HSD11B1RIPK1
SCHEMBL18445998 0.88 TACR2 (0.48) GRM2TACR2TACR1HSD11B1ALDH1A1
SCHEMBL1085842 0.85 CYP2D6 (0.48) TSHRSMN1; SMN2GRM2ALDH1A1CYP2C19
SCHEMBL1086258 0.85 MGLL (0.43) GRM2TACR2TACR1GAA
SCHEMBL1086111 0.84 TSHR (0.45) TSHRLMNASMN1; SMN2GRM2KDM4E
SCHEMBL1086697 0.83 HTT (0.44) TSHRTACR2TACR1RIPK1ALDH1A1
SCHEMBL1086172 0.82 TACR2 (0.42) TSHRGRM2TACR2TACR1ALDH1A1

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 TSHR 3698/4885LMNA 3413/4885SMN1; SMN2 3067/4885

“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.