SCHEMBL1086245

SCHEMBL1086245

O=C1OC2(CCN(S(=O)(=O)c3cc(Cl)c(Cl)s3)CC2)CN1Cc1cccc(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.37
TACR1 P25103 1/20 0.37
USP2 O75604 1/20 0.34
CYP2D6 P10635 1/20 0.34
F10 P00742 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD11B1 P28845 1/20 0.34
PTGER3 P43115 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33

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
SCHEMBL1086616 0.87 PTGFR (0.44) LMNAMAPK1PTGER3ALDH1A1
SCHEMBL1086249 0.83 CNR1 (0.38) TACR2TACR1CYP2D6SMN1; SMN2PTGER3
SCHEMBL1086778 0.81 NPC1 (0.39) TACR2TACR1SMN1; SMN2SIRT2SIRT1
SCHEMBL4502178 0.79 MMP2 (0.40) TACR2TACR1USP2CYP2D6MAPK1
SCHEMBL1086317 0.76 KDM4E (0.41) TACR2TACR1LMNAHSD11B1KDM4E
SCHEMBL1086448 0.76 TACR1 (0.40) TACR2TACR1SMN1; SMN2HSD11B1KDM4E
SCHEMBL1086446 0.76 HSD17B10 (0.42) LMNAALDH1A1SIRT2SIRT1
SCHEMBL1086125 0.74 KDM4E (0.45) TACR2TACR1SMN1; SMN2HSD11B1KDM4E
SCHEMBL1086462 0.74 OPRM1 (0.37) TACR2TACR1SIRT2SIRT1
SCHEMBL4256335 0.74 SIRT2 (0.42) TACR2TACR1CYP2D6SMN1; SMN2HSD11B1

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 TACR2 1923/4885TACR1 1796/4885USP2 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.