SCHEMBL1086845

SCHEMBL1086845

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
LMNA P02545 2/20 0.42
GRM2 Q14416 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TACR2 P21452 1/20 0.38
TACR1 P25103 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HSD11B1 P28845 2/20 0.37

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
SCHEMBL1086607 0.89 TSHR (0.47) TSHRLMNAGRM2SMN1; SMN2TACR2
SCHEMBL1086562 0.88 TACR2 (0.36) TSHRGRM2TACR2TACR1
SCHEMBL1086846 0.86 TSHR (0.43) TSHRLMNAGRM2SMN1; SMN2TACR2
SCHEMBL4486406 0.85 MGLL (0.42) GRM2SMN1; SMN2HSD11B1
SCHEMBL1086781 0.83 TACR2 (0.40) GRM2TACR2TACR1
SCHEMBL1086697 0.82 HTT (0.44) TSHRTACR2TACR1ALDH1A1CYP2C19
SCHEMBL4486191 0.82 MMP13 (0.40) GRM2TACR2TACR1
SCHEMBL4498487 0.81 GRM2 (0.41) TSHRLMNAGRM2SMN1; SMN2TACR2
SCHEMBL1086594 0.81 TSHR (0.40) TSHRLMNAGRM2ALDH1A1HSD11B1
SCHEMBL1086111 0.81 TSHR (0.45) TSHRLMNAGRM2SMN1; SMN2KDM4E

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 2 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 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 3413/4885GRM2 389/4885

“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.