SCHEMBL4486406

SCHEMBL4486406

O=C(S)N1CCC2(CC1)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)O2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
HDAC1 Q13547 1/20 0.40
EPHX1 P07099 1/20 0.40
EPHX2 P34913 1/20 0.40
GRM2 Q14416 1/20 0.39
TRPM8 Q7Z2W7 2/20 0.39
SSTR5 P35346 1/20 0.39
HSD11B1 P28845 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
GPR183 P32249 2/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 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
SCHEMBL1086258 0.90 MGLL (0.43) MGLLSIRT2SIRT1HDAC1EPHX1
SCHEMBL4486408 0.87 POLB (0.40) MGLLSIRT2SIRT1HDAC1EPHX1
Beclamide SCHEMBL1085947 0.85 NR3C2 (0.39) HDAC1
SCHEMBL1086750 0.85 USP2 (0.56) EPHX1EPHX2SMN1; SMN2
SCHEMBL1086845 0.85 TSHR (0.46) GRM2HSD11B1SMN1; SMN2
SCHEMBL1086843 0.83 ALDH1A1 (0.56) EPHX2SMN1; SMN2
SCHEMBL1086645 0.83 POLB (0.41) MGLLSIRT2SIRT1EPHX2GRM2
SCHEMBL1086781 0.82 TACR2 (0.40) GRM2SSTR5GRIN1GRIN2B
SCHEMBL1086242 0.82 SMN1; SMN2 (0.46) SIRT2SIRT1EPHX1EPHX2SMN1; SMN2
SCHEMBL12184852 0.82 SSTR5 (0.55) SSTR5

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 MGLL 3543/4885SIRT2 205/4885SIRT1 92/4885

“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.