SCHEMBL1086148

SCHEMBL1086148

COc1ccc([N+](=O)[O-])cc1CN1CC2(CCN(C(=O)c3cccc(N(C)C)c3)CC2)OC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
CYP2D6 P10635 3/20 0.40
RASGRP3 Q8IV61 2/20 0.40
KDM4E B2RXH2 2/20 0.38
KCNJ1 P48048 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
CRBN Q96SW2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ACACB O00763 1/20 0.38
TACR1 P25103 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 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
SCHEMBL1086828 0.90 ALDH1A1 (0.41) ALDH1A1CYP2D6KDM4EKCNJ1HPGD
SCHEMBL1086535 0.84 KCNJ1 (0.47) ALDH1A1KDM4EKCNJ1HPGDSMN1; SMN2
SCHEMBL1086864 0.83 KCNJ1 (0.39) ALDH1A1CYP2D6KDM4EKCNJ1HPGD
SCHEMBL1086474 0.83 ALDH1A1 (0.44) ALDH1A1KDM4EKCNJ1HPGDSMN1; SMN2
SCHEMBL1086417 0.83 ALDH1A1 (0.42) ALDH1A1CYP2D6KDM4EKCNJ1HPGD
SCHEMBL1085967 0.82 ALDH1A1 (0.44) ALDH1A1CYP2D6KCNJ1HPGDSMN1; SMN2
SCHEMBL1086475 0.81 ALDH1A1 (0.48) ALDH1A1KDM4EKCNJ1HPGDSMN1; SMN2
SCHEMBL1086611 0.81 KCNJ1 (0.41) ALDH1A1CYP2D6KDM4EKCNJ1HPGD
SCHEMBL1087115 0.80 KCNJ1 (0.44) ALDH1A1KCNJ1HPGDSMN1; SMN2MEN1
SCHEMBL1086032 0.80 ALDH1A1 (0.41) ALDH1A1KCNJ1HPGDSMN1; SMN2KMT2A

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 10 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
EP-1910381-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-04-16 EP claimed
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 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
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
EP-1910381-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-04-16 EP 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 ALDH1A1 220/4885CYP2D6 42/4885RASGRP3 3504/4885

“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.