SCHEMBL1086586

SCHEMBL1086586

CSc1ncccc1C(=O)N1CCC2(CC1)CN(Cc1ccc(I)cc1)C(=O)O2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
USP2 O75604 1/20 0.40
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PGGT1B P53609 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
CCR5 P51681 1/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
GRM2 Q14416 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL1086590 0.92 KMT2A (0.48) KMT2AUSP2FNTAFNTBPGGT1B
SCHEMBL1086319 0.90 KMT2A (0.46) KMT2AUSP2FNTAFNTBPGGT1B
SCHEMBL1086855 0.89 KMT2A (0.45) KMT2AUSP2FNTAFNTBPGGT1B
SCHEMBL1086871 0.87 KMT2A (0.45) KMT2AUSP2LMNAGAAKDM4E
SCHEMBL1086199 0.84 LMNA (0.46) KMT2AUSP2ALDH1A1LMNAGAA
SCHEMBL1087003 0.83 SMN1; SMN2 (0.41) KMT2AFNTAFNTBALDH1A1LMNA
SCHEMBL1085968 0.83 KMT2A (0.43) KMT2AFNTAFNTBALDH1A1KCNH2
SCHEMBL1085897 0.83 KDM4E (0.42) KMT2AFNTAFNTBKCNH2MEN1
SCHEMBL1086286 0.81 RXFP1 (0.42) KMT2AALDH1A1LMNAGAACCR5
SCHEMBL1085823 0.80 CYP2C19 (0.46) ALDH1A1LMNAKDM4EHPGDGRM2

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 KMT2A 4267/4885USP2 2747/4885FNTA 4732/4885

“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.