SCHEMBL1086286

SCHEMBL1086286

O=C1OC2(CCN(C(=O)c3ccccc3Cl)CC2)CN1Cc1ccc(I)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTR2B P41595 1/20 0.42
MAPK14 Q16539 1/20 0.42
RAB9A P51151 2/20 0.41
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 2/20 0.41
RIPK1 Q13546 1/20 0.40
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.38
CCR5 P51681 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
TACR2 P21452 1/20 0.38
TACR1 P25103 1/20 0.38
KCNA5 P22460 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL1086201 0.90 P2RX7 (0.40) RIPK1CCR5TACR2TACR1HPGD
SCHEMBL1085863 0.86 RXFP1 (0.40) RXFP1CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL1086783 0.85 HPGD (0.46) ALDH1A1RIPK1CCR5TACR2TACR1
SCHEMBL1086230 0.83 RIPK1 (0.49) CYP2C9CYP2C19ALDH1A1RIPK1KMT2A
SCHEMBL1086209 0.82 GRM2 (0.42) RIPK1CCR5TACR2TACR1
SCHEMBL1086586 0.81 KMT2A (0.47) ALDH1A1KMT2AGAACCR5MEN1
SCHEMBL1085959 0.81 MCHR1 (0.41) RXFP1CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL1086498 0.81 HPGD (0.46) CCR5TACR2TACR1HPGD
SCHEMBL1085995 0.81 EPHX2 (0.47) RXFP1EPHX2ALDH1A1KMT2AMEN1
SCHEMBL1086697 0.80 HTT (0.44) CYP2C9CYP2C19HTR2BMAPK14ALDH1A1

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 RXFP1 1651/4885CYP2C9 224/4885CYP2C19 453/4885

“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.