SCHEMBL1086353

SCHEMBL1086353

N#Cc1cccc(CN2CC3(CCN(C(=O)S)CC3)OC2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
FAAH O00519 1/20 0.41
CYP2C19 P33261 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 4/20 0.39
CYP1A2 P05177 3/20 0.39
OPRM1 P35372 2/20 0.39
KCNH2 Q12809 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
CYP3A4 P08684 3/20 0.38
USP2 O75604 1/20 0.38
TACR2 P21452 1/20 0.38
TACR1 P25103 1/20 0.38
CHRM3 P20309 1/20 0.38
GRM2 Q14416 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
SCHEMBL1086354 0.88 SIRT2 (0.42) SIRT2SIRT1FAAHCYP2C19ALDH1A1
SCHEMBL1086699 0.85 SIRT2 (0.41) SIRT2SIRT1FAAHCYP2C19ALDH1A1
SCHEMBL1086487 0.84 SIRT2 (0.42) SIRT2SIRT1FAAHTACR2TACR1
SCHEMBL1087039 0.83 SIRT2 (0.40) SIRT2SIRT1FAAHCYP2C19ALDH1A1
SCHEMBL1087064 0.82 KMT2A (0.43) SIRT2SIRT1CYP2C19ALDH1A1MAPK1
SCHEMBL1086232 0.82 AURKA (0.41) SIRT2SIRT1CYP2C19ALDH1A1MAPK1
SCHEMBL1086649 0.82 CYP3A4 (0.42) SIRT2SIRT1CYP2C19ALDH1A1MAPK1
SCHEMBL1086220 0.81 CYP3A4 (0.40) SIRT2SIRT1CYP2C19ALDH1A1MAPK1
SCHEMBL1086171 0.81 CYP3A4 (0.45) FAAHCYP2C19ALDH1A1MAPK1CYP1A2
SCHEMBL1086102 0.81 FAAH (0.56) FAAHCYP2C19ALDH1A1MAPK1CYP1A2

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 SIRT2 205/4885SIRT1 92/4885FAAH 2616/4885

“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.