SCHEMBL1086264

SCHEMBL1086264

O=C1OC2(CCN(C(=O)c3cccc(SC(F)F)c3)CC2)CN1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.48
CYP2D6 P10635 5/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.45
RECQL P46063 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TACR2 P21452 1/20 0.42
TACR1 P25103 1/20 0.42
CHRM2 P08172 3/20 0.41
CHRM3 P20309 3/20 0.41
USP2 O75604 3/20 0.39
CYP3A4 P08684 4/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL1086374 0.91 MEN1 (0.43) RIPK1CYP2D6TSHRMAPK1RECQL
SCHEMBL1086168 0.91 EPHX2 (0.43) RIPK1CYP2D6TSHRSMN1; SMN2USP2
SCHEMBL1086320 0.91 RIPK1 (0.38) RIPK1CYP2D6TSHRMAPK1RECQL
SCHEMBL1086769 0.85 CYP2D6 (0.64) RIPK1CYP2D6TSHRMAPK1RECQL
SCHEMBL1086824 0.84 CHRM2 (0.55) RIPK1CYP2D6TSHRMAPK1RECQL
SCHEMBL1085998 0.83 CHRM2 (0.54) RIPK1CYP2D6TSHRMAPK1RECQL
SCHEMBL1086617 0.77 HSD11B1 (0.48) CYP2D6TSHRMAPK1MEN1KMT2A
SCHEMBL1086435 0.77 RIPK1 (0.47) RIPK1CYP2D6TSHRMAPK1RECQL
SCHEMBL1085855 0.77 RIPK1 (0.49) RIPK1CYP2D6MEN1KMT2ATACR2
SCHEMBL1086067 0.76 MEN1 (0.59) CYP2D6TSHRMAPK1RECQLMEN1

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 8 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
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 RIPK1 3721/4885CYP2D6 42/4885TSHR 3698/4885

“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.