SCHEMBL1086181

SCHEMBL1086181

Cc1cccc(C(=O)N2CCC3(CC2)CN(Cc2ccccc2C(F)(F)F)C(=O)O3)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
ATM Q13315 2/20 0.43
GAA P10253 1/20 0.43
HDAC11 Q96DB2 1/20 0.41
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
ALOX15 P16050 2/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
P2RX7 Q99572 2/20 0.39
EPHX2 P34913 2/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL1086455 0.94 ALDH1A1 (0.45) KDM4EALDH1A1TDP1NPSR1ATM
SCHEMBL1086207 0.86 EPHX2 (0.45) KDM4EALDH1A1TDP1HDAC11LMNA
SCHEMBL1085995 0.86 EPHX2 (0.47) KDM4EALDH1A1TDP1HDAC11TSHR
SCHEMBL1086510 0.85 SMN1; SMN2 (0.47) KDM4EHDAC11LMNAHTTSMN1; SMN2
SCHEMBL1086752 0.85 LMNA (0.40) LMNATSHRMEN1KMT2ATP53
SCHEMBL1086138 0.83 GRIN1 (0.39) KDM4EALDH1A1TDP1NPSR1ATM
SCHEMBL1086322 0.83 NPSR1 (0.51) KDM4EALDH1A1TDP1NPSR1ATM
SCHEMBL1086623 0.83 SIRT2 (0.44) KDM4EALDH1A1TDP1NPSR1ATM
SCHEMBL1086873 0.82 SSTR5 (0.41) KDM4EALDH1A1TDP1NPSR1ATM
SCHEMBL1086647 0.82 ALDH1A1 (0.42) KDM4EALDH1A1TDP1NPSR1ATM

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 KDM4E 2366/4885ALDH1A1 220/4885TDP1 1144/4885

“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.