SCHEMBL1086372

SCHEMBL1086372

O=C1OC2(CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)CN1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.53
BCHE P06276 3/20 0.49
ACHE P22303 3/20 0.49
BACE1 P56817 3/20 0.49
SSTR5 P35346 2/20 0.49
TACR2 P21452 1/20 0.49
TACR1 P25103 1/20 0.49
LIPE Q05469 1/20 0.48
LMNA P02545 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
P2RY1 P47900 1/20 0.45
PRCP P42785 2/20 0.45
CHRM4 P08173 2/20 0.45
GRM2 Q14416 1/20 0.45

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
SCHEMBL1085872 0.88 KCNH2 (0.49) KCNH2SSTR5TACR2TACR1LMNA
SCHEMBL12184317 0.79 SLC6A5 (0.56) DRD2DRD4
SCHEMBL11368838 0.78 SIGMAR1 (0.52) KCNH2TACR2TACR1DRD2
SCHEMBL1085973 0.77 GRM2 (0.42) KCNH2BCHEACHESSTR5LIPE
SCHEMBL11359522 0.77 SIGMAR1 (0.62) KCNH2TACR2TACR1LMNATSHR
SCHEMBL11367166 0.76 SIGMAR1 (0.52) KCNH2TACR2TACR1LMNAALDH1A1
SCHEMBL12184354 0.76 KDM4E (0.45) SSTR5TACR2TACR1ALDH1A1
SCHEMBL12184992 0.76 ALDH1A1 (0.54) ALDH1A1CHRM4
SCHEMBL12184852 0.76 SSTR5 (0.55) SSTR5
SCHEMBL12184465 0.75 SSTR5 (0.53) SSTR5TACR2TACR1

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 KCNH2 2136/4885BCHE 2759/4885ACHE 1256/4885

“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.