SCHEMBL1086334

SCHEMBL1086334

Cc1ccc2ccccc2c1CN1CCC2(CC1)CN(Cc1ccccc1C(F)(F)F)C(=O)O2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ATM Q13315 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
GAA P10253 2/20 0.41
SSTR5 P35346 3/20 0.39
XIAP P98170 1/20 0.39
TACR2 P21452 1/20 0.38
TACR1 P25103 1/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL1086455 0.75 ALDH1A1 (0.45) NPSR1KDM4EATMALDH1A1TDP1
SCHEMBL1086623 0.75 SIRT2 (0.44) NPSR1KDM4EATMALDH1A1TDP1
SCHEMBL1086873 0.74 SSTR5 (0.41) NPSR1KDM4EATMALDH1A1TDP1
SCHEMBL1086181 0.73 KDM4E (0.43) NPSR1KDM4EATMALDH1A1TDP1
SCHEMBL4263514 0.72 HSD11B1 (0.40) KDM4EALDH1A1GAACYP2C9
SCHEMBL1086138 0.71 GRIN1 (0.39) NPSR1KDM4EATMALDH1A1TDP1
SCHEMBL1086647 0.71 ALDH1A1 (0.42) NPSR1KDM4EATMALDH1A1TDP1
SCHEMBL1086030 0.70 TACR2 (0.43) KDM4EALDH1A1GAATACR2TACR1
SCHEMBL1085995 0.70 EPHX2 (0.47) KDM4EALDH1A1TDP1KMT2AMEN1
SCHEMBL1086058 0.70 MAPT (0.41) NPSR1KDM4EATMALDH1A1TDP1

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 NPSR1 817/4885KDM4E 2366/4885ATM 3983/4885

“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.