SCHEMBL1086908

SCHEMBL1086908

Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC2(CC1)CN(Cc1cccc(C#N)c1)C(=O)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 2/20 0.40
USP2 O75604 4/20 0.37
CYP2D6 P10635 3/20 0.37
CYP2C19 P33261 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP3A4 P08684 3/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2C9 P11712 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
TACR1 P25103 1/20 0.36
SDHB P21912 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
CCR5 P51681 1/20 0.36
KCNH2 Q12809 1/20 0.36
SSTR5 P35346 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1086329 0.91 SMN1; SMN2 (0.45) USP2CYP2D6CYP2C19SMN1; SMN2CYP3A4
SCHEMBL1085955 0.88 GRIN1 (0.41) GRIN1GRIN2BUSP2TACR1SSTR5
SCHEMBL1087077 0.85 GRIN1 (0.41) GRIN1GRIN2BTACR1SSTR5PDE2A
SCHEMBL1086467 0.84 GRIN1 (0.37) GRIN1GRIN2BSIRT2SIRT1CCR5
SCHEMBL1087039 0.82 SIRT2 (0.40) USP2CYP2C19CYP3A4CYP1A2CYP2C9
SCHEMBL1086138 0.81 GRIN1 (0.39) GRIN1GRIN2BSIRT2SIRT1MEN1
SCHEMBL1086999 0.80 ALDH1A1 (0.42) GRIN1GRIN2BUSP2CYP2C19CYP3A4
SCHEMBL1087064 0.80 KMT2A (0.43) USP2CYP2D6CYP2C19SMN1; SMN2CYP3A4
SCHEMBL1086232 0.79 AURKA (0.41) USP2CYP2D6CYP2C19CYP3A4CYP1A2
SCHEMBL1086353 0.78 SIRT2 (0.45) USP2CYP2C19CYP3A4CYP1A2CYP2C9

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 GRIN1 238/4885GRIN2B 980/4885USP2 2747/4885

“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.