SCHEMBL1086958

SCHEMBL1086958

N#Cc1ccc(CN2CC3(CCN(C(=O)c4ccc(SC(F)(F)F)cc4)CC3)OC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 7/20 0.47
CYP2D6 P10635 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
CYP2C19 P33261 5/20 0.47
CYP3A4 P08684 11/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP2C9 P11712 5/20 0.44
TSHR P16473 4/20 0.44
CYP1A2 P05177 4/20 0.44
EPHX2 P34913 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GLA P06280 1/20 0.43
MAPK1 P28482 2/20 0.41
PRKAA2 P54646 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40

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
SCHEMBL1086092 0.88 RIPK1 (0.39) USP2SMN1; SMN2MEN1KMT2ACYP2C9
SCHEMBL1086650 0.88 EPHX2 (0.47) USP2CYP2D6SMN1; SMN2CYP2C19CYP3A4
SCHEMBL1086687 0.84 RIPK1 (0.38) USP2CYP2D6SMN1; SMN2CYP2C19EPHX2
SCHEMBL1086268 0.84 CYP3A4 (0.49) USP2CYP2D6SMN1; SMN2CYP2C19CYP3A4
SCHEMBL1086524 0.83 HDAC1 (0.39) USP2MEN1KMT2AEPHX2
SCHEMBL1086423 0.83 TACR2 (0.39)
SCHEMBL1086321 0.82 HPGD (0.36) USP2CYP2C9TSHREPHX2
SCHEMBL1087047 0.82 CYP3A4 (0.48) USP2CYP2D6SMN1; SMN2CYP2C19CYP3A4
SCHEMBL1086551 0.81 TACR1 (0.42) MEN1KMT2AEPHX2GLA
SCHEMBL1085733 0.80 PRKAA2 (0.49) USP2CYP2D6SMN1; SMN2CYP2C19CYP3A4

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 USP2 2747/4885CYP2D6 42/4885SMN1; SMN2 3067/4885

“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.