SCHEMBL1086473

SCHEMBL1086473

COc1ccc([N+](=O)[O-])cc1CN1CC2(CCN(Cc3cccc([N+](=O)[O-])c3)CC2)OC1=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
ABCC1 P33527 2/20 0.46
ABCB1 P08183 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
ACHE P22303 1/20 0.44
TACR1 P25103 1/20 0.44
KCNJ1 P48048 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
SSTR5 P35346 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL1086535 0.84 KCNJ1 (0.47) ALDH1A1KDM4ETACR1KCNJ1MEN1
SCHEMBL1086807 0.83 TACR1 (0.44) ALDH1A1TACR1KCNJ1MEN1KMT2A
SCHEMBL1086475 0.83 ALDH1A1 (0.48) MAPK1ALDH1A1KDM4ETACR1KCNJ1
SCHEMBL1086474 0.83 ALDH1A1 (0.44) ALDH1A1KDM4ETACR1KCNJ1MEN1
SCHEMBL1086485 0.83 MAPT (0.47) ALDH1A1KDM4ETDP1KCNJ1MEN1
SCHEMBL1086669 0.81 KMT2A (0.43) ALDH1A1KDM4ETACR1KCNJ1MEN1
SCHEMBL1086828 0.81 ALDH1A1 (0.41) ALDH1A1KDM4ETACR1KCNJ1MEN1
SCHEMBL1086511 0.80 HTT (0.47) ALDH1A1KDM4EKCNJ1MEN1KMT2A
SCHEMBL1086864 0.80 KCNJ1 (0.39) MAPK1ALDH1A1KDM4ETACR1KCNJ1
SCHEMBL1087115 0.80 KCNJ1 (0.44) ALDH1A1TACR1KCNJ1MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 MAPK1 2787/4885ABCC1 241/4885ABCB1 61/4885

“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.