SCHEMBL1086535

SCHEMBL1086535

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.47
ALDH1A1 P00352 9/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
HPGD P15428 2/20 0.45
TACR1 P25103 1/20 0.43
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.38
PKM P14618 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
SCHEMBL1086475 0.92 ALDH1A1 (0.48) KCNJ1ALDH1A1SMN1; SMN2HPGDTACR1
SCHEMBL1086474 0.92 ALDH1A1 (0.44) KCNJ1ALDH1A1SMN1; SMN2HPGDTACR1
SCHEMBL1087115 0.89 KCNJ1 (0.44) KCNJ1ALDH1A1SMN1; SMN2HPGDTACR1
SCHEMBL1086032 0.88 ALDH1A1 (0.41) KCNJ1ALDH1A1SMN1; SMN2HPGDTACR1
SCHEMBL1086511 0.87 HTT (0.47) KCNJ1ALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL1086417 0.86 ALDH1A1 (0.42) KCNJ1ALDH1A1SMN1; SMN2HPGDTACR1
SCHEMBL1086611 0.86 KCNJ1 (0.41) KCNJ1ALDH1A1SMN1; SMN2HPGDTACR1
SCHEMBL1086828 0.86 ALDH1A1 (0.41) KCNJ1ALDH1A1SMN1; SMN2HPGDTACR1
SCHEMBL1085967 0.86 ALDH1A1 (0.44) KCNJ1ALDH1A1SMN1; SMN2HPGDTACR1
SCHEMBL1086864 0.85 KCNJ1 (0.39) KCNJ1ALDH1A1SMN1; SMN2HPGDTACR1

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 KCNJ1 1902/4885ALDH1A1 220/4885SMN1; SMN2 3067/4885

“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.