SCHEMBL4498487

SCHEMBL4498487

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD11B1 P28845 2/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
TACR2 P21452 1/20 0.38
TACR1 P25103 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
SCHEMBL1086519 0.86 MEN1 (0.46) GRM2SMN1; SMN2LMNATACR2TACR1
SCHEMBL1086606 0.83 ALDH1A1 (0.48) SMN1; SMN2LMNA
SCHEMBL1086607 0.82 TSHR (0.47) GRM2SMN1; SMN2HSD11B1LMNATSHR
SCHEMBL1086223 0.82 HSD11B1 (0.50) HSD11B1LMNATSHR
SCHEMBL1086845 0.81 TSHR (0.46) GRM2SMN1; SMN2HSD11B1LMNATSHR
SCHEMBL1086846 0.81 TSHR (0.43) GRM2SMN1; SMN2HSD11B1LMNATSHR
SCHEMBL1086588 0.81 RAB9A (0.54) SMN1; SMN2LMNA
SCHEMBL1085966 0.81 USP2 (0.51) SMN1; SMN2TSHR
SCHEMBL1085986 0.79 SMN1; SMN2 (0.44) SMN1; SMN2LMNAGRIN1GRIN2B
SCHEMBL1086224 0.78 SMN1; SMN2 (0.43) SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 389/4885SMN1; SMN2 3067/4885HSD11B1 1783/4885

“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.