SCHEMBL1086232

SCHEMBL1086232

N#Cc1cccc(CN2CC3(CCN(C(=O)c4cccc(Cl)c4F)CC3)OC2=O)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.41
AURKB Q96GD4 6/20 0.41
CYP3A4 P08684 4/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP2C19 P33261 4/20 0.40
CYP1A2 P05177 2/20 0.40
GLA P06280 1/20 0.40
USP2 O75604 3/20 0.39
CYP2D6 P10635 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
MAPK1 P28482 3/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
TACR2 P21452 1/20 0.38
TACR1 P25103 1/20 0.38
P2RX7 Q99572 1/20 0.37
TRPM8 Q7Z2W7 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
SCHEMBL1086445 0.84 P2RX7 (0.40) AURKAAURKBTACR2TACR1P2RX7
SCHEMBL1087039 0.84 SIRT2 (0.40) CYP3A4ALDH1A1CYP2C19CYP1A2GLA
SCHEMBL1087089 0.84 CYP3A4 (0.47) CYP3A4ALDH1A1CYP2C19CYP1A2GLA
SCHEMBL1086201 0.84 P2RX7 (0.40) AURKAAURKBUSP2TACR2TACR1
SCHEMBL1086471 0.83 CYP2C19 (0.45) CYP3A4ALDH1A1CYP2C19CYP1A2GLA
SCHEMBL1086353 0.82 SIRT2 (0.45) CYP3A4ALDH1A1CYP2C19CYP1A2USP2
SCHEMBL1086649 0.81 CYP3A4 (0.42) CYP3A4ALDH1A1CYP2C19CYP1A2GLA
SCHEMBL1086521 0.80 CYP3A4 (0.48) CYP3A4ALDH1A1CYP2C19CYP1A2GLA
SCHEMBL1086354 0.80 SIRT2 (0.42) CYP3A4ALDH1A1CYP2C19CYP1A2USP2
SCHEMBL1086999 0.79 ALDH1A1 (0.42) CYP3A4ALDH1A1CYP2C19CYP1A2GLA

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 AURKA 3526/4885AURKB 4230/4885CYP3A4 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.