SCHEMBL1086471

SCHEMBL1086471

N#Cc1ccc(CN2CC3(CCN(C(=O)c4cccc(Cl)c4Cl)CC3)OC2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 6/20 0.45
MAPK1 P28482 2/20 0.45
CYP3A4 P08684 9/20 0.43
CYP1A2 P05177 4/20 0.43
ALDH1A1 P00352 3/20 0.43
P2RX7 Q99572 2/20 0.43
GLA P06280 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
USP2 O75604 6/20 0.42
CYP2C9 P11712 4/20 0.42
CYP2D6 P10635 5/20 0.42
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HIF1A Q16665 1/20 0.39

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
SCHEMBL1086831 0.86 AVPR1A (0.47) CYP2C19MAPK1CYP3A4CYP1A2ALDH1A1
SCHEMBL1087089 0.86 CYP3A4 (0.47) CYP2C19MAPK1CYP3A4CYP1A2ALDH1A1
SCHEMBL1086521 0.85 CYP3A4 (0.48) CYP2C19MAPK1CYP3A4CYP1A2ALDH1A1
SCHEMBL1086232 0.83 AURKA (0.41) CYP2C19MAPK1CYP3A4CYP1A2ALDH1A1
SCHEMBL1087047 0.82 CYP3A4 (0.48) CYP2C19MAPK1CYP3A4CYP1A2ALDH1A1
SCHEMBL1085842 0.82 CYP2D6 (0.48) CYP2C19MAPK1CYP3A4CYP1A2ALDH1A1
SCHEMBL1086662 0.81 CYP2C19 (0.43) CYP2C19MAPK1CYP3A4CYP1A2ALDH1A1
SCHEMBL1086714 0.81 USP2 (0.44) CYP2C19MAPK1CYP3A4CYP1A2ALDH1A1
SCHEMBL1086268 0.80 CYP3A4 (0.49) CYP2C19MAPK1CYP3A4CYP1A2ALDH1A1
SCHEMBL1085854 0.80 HPGD (0.44) CYP2C19MAPK1CYP3A4CYP1A2ALDH1A1

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 CYP2C19 453/4885MAPK1 2787/4885CYP3A4 60/4885

“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.