SCHEMBL1086220

SCHEMBL1086220

Cc1cc(C(=O)N2CCC3(CC2)CN(Cc2cccc(C#N)c2)C(=O)O3)ccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 10/20 0.40
ALDH1A1 P00352 7/20 0.40
CYP2C19 P33261 5/20 0.40
CYP1A2 P05177 4/20 0.40
GLA P06280 1/20 0.40
USP2 O75604 7/20 0.39
CYP2D6 P10635 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
TSHR P16473 4/20 0.38
MAPK1 P28482 4/20 0.38
CYP2C9 P11712 2/20 0.38
CCR5 P51681 1/20 0.38
KCNH2 Q12809 1/20 0.38
FASN P49327 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
RIPK1 Q13546 1/20 0.36
HIF1A Q16665 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL1086443 0.91 CYP3A4 (0.46) CYP3A4ALDH1A1CYP2C19CYP1A2GLA
SCHEMBL1086435 0.88 RIPK1 (0.47) CYP3A4CYP2D6TSHRMAPK1SMN1; SMN2
SCHEMBL1087133 0.84 HPGD (0.46) ALDH1A1TSHRMAPK1SMN1; SMN2RIPK1
SCHEMBL1087039 0.84 SIRT2 (0.40) CYP3A4ALDH1A1CYP2C19CYP1A2GLA
SCHEMBL1086171 0.83 CYP3A4 (0.45) CYP3A4ALDH1A1CYP2C19CYP1A2USP2
SCHEMBL1086426 0.83 SSTR5 (0.39) TSHR
SCHEMBL1086649 0.82 CYP3A4 (0.42) CYP3A4ALDH1A1CYP2C19CYP1A2GLA
SCHEMBL1087064 0.81 KMT2A (0.43) CYP3A4ALDH1A1CYP2C19CYP1A2USP2
SCHEMBL1086353 0.81 SIRT2 (0.45) CYP3A4ALDH1A1CYP2C19CYP1A2USP2
SCHEMBL1086304 0.81 MEN1 (0.41) ALDH1A1TSHRSMN1; SMN2RIPK1

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 CYP3A4 60/4885ALDH1A1 220/4885CYP2C19 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.