SCHEMBL1085872

SCHEMBL1085872

O=C1OC2(CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)CN1Cc1ccc(F)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.49
SSTR5 P35346 2/20 0.47
LMNA P02545 1/20 0.45
GPR183 P32249 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
PRCP P42785 1/20 0.42
TACR2 P21452 1/20 0.42
TACR1 P25103 1/20 0.42
GRM2 Q14416 3/20 0.42

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
SCHEMBL1086372 0.88 KCNH2 (0.53) KCNH2SSTR5LMNAALDH1A1TSHR
SCHEMBL1086208 0.86 SSTR5 (0.46) SSTR5GPR183
SCHEMBL1086478 0.81 ALDH1A1 (0.45) LMNAALDH1A1TACR2TACR1
SCHEMBL1086777 0.80 HSD11B1 (0.45) SSTR5ALDH1A1TSHR
SCHEMBL1086172 0.76 TACR2 (0.42) SSTR5ALDH1A1TSHRTACR2TACR1
SCHEMBL12184317 0.76 SLC6A5 (0.56)
SCHEMBL1086782 0.75 TACR2 (0.42) SSTR5TACR2TACR1GRM2
SCHEMBL1086781 0.75 TACR2 (0.40) SSTR5TACR2TACR1GRM2
SCHEMBL1085880 0.75 MAPT (0.49) SSTR5LMNAALDH1A1TSHR
SCHEMBL1085973 0.74 GRM2 (0.42) KCNH2SSTR5LMNAALDH1A1TSHR

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 2136/4885SSTR5 413/4885LMNA 3413/4885

“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.