SCHEMBL4486408

SCHEMBL4486408

O=C1OC2(CCN(C(O)=S)CC2)CN1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MGLL Q99685 1/20 0.40
TACR2 P21452 1/20 0.40
TACR1 P25103 1/20 0.40
GRM2 Q14416 1/20 0.39
SSTR5 P35346 2/20 0.39
HSD11B1 P28845 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
HDAC1 Q13547 1/20 0.38
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
FAAH O00519 1/20 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
SCHEMBL1086258 0.90 MGLL (0.43) POLBGAAMGLLTACR2TACR1
SCHEMBL4486406 0.87 MGLL (0.42) MGLLGRM2SSTR5HSD11B1SIRT2
SCHEMBL1085948 0.85 POLB (0.46) POLBGAATACR2TACR1
SCHEMBL1086846 0.85 TSHR (0.43) MGLLTACR2TACR1GRM2HSD11B1
SCHEMBL1086645 0.83 POLB (0.41) POLBGAAMGLLGRM2SSTR5
SCHEMBL1086750 0.83 USP2 (0.56) TACR1EPHX1EPHX2
SCHEMBL1086782 0.82 TACR2 (0.42) TACR2TACR1GRM2SSTR5GRIN1
SCHEMBL12184852 0.82 SSTR5 (0.55) POLBGAASSTR5
SCHEMBL1086843 0.81 ALDH1A1 (0.56) EPHX2
SCHEMBL12184354 0.80 KDM4E (0.45) POLBGAATACR2TACR1SSTR5

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 POLB 2624/4885GAA 1200/4885MGLL 3543/4885

“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.