SCHEMBL1086533

SCHEMBL1086533

COc1ccc(NC(=O)N2CCC3(CC2)CN(Cc2ccc4ccccc4c2)C(=O)O3)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.55
KMT2A Q03164 2/20 0.48
CYP2D6 P10635 4/20 0.47
CYP1A2 P05177 3/20 0.47
ALDH1A1 P00352 3/20 0.47
USP2 O75604 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HIF1A Q16665 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.46
BLM P54132 1/20 0.45

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
SCHEMBL4258569 0.88 MMP1 (0.43) FAAHKMT2ACYP2D6CYP3A4MEN1
SCHEMBL1086743 0.88 MAPK1 (0.51) FAAHKMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL1086470 0.81 FAAH (0.42) FAAHKMT2ACYP2D6CYP3A4MEN1
SCHEMBL1086140 0.81 ALDH1A1 (0.51) KMT2AALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL4486191 0.80 MMP13 (0.40) FAAHKMT2A
SCHEMBL1086247 0.79 GPR119 (0.45)
SCHEMBL4265581 0.78 ALDH1A1 (0.42) FAAHKMT2AALDH1A1TSHRMAPT
SCHEMBL4486194 0.78 TACR2 (0.41) FAAHKMT2A
SCHEMBL4257512 0.78 LMNA (0.48) FAAHKMT2ACYP2D6ALDH1A1SMN1; SMN2
SCHEMBL1086552 0.77 HRH3 (0.46) FAAHKMT2ASMN1; SMN2MEN1

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 7 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-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-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
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 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
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
WO-2007000325-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-01-04 WO 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 FAAH 2616/4885KMT2A 4267/4885CYP2D6 42/4885

“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.