SCHEMBL4259054

SCHEMBL4259054

O=C1OC2(CCN(C(=O)c3ccnc(Cl)c3)CC2)CN1Cc1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.41
RIPK1 Q13546 1/20 0.40
POLB P06746 1/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 2/20 0.38
GRM2 Q14416 1/20 0.37
MMP13 P45452 1/20 0.37
CHRM2 P08172 3/20 0.36
CHRM3 P20309 3/20 0.36
CYP2C19 P33261 2/20 0.36
HDAC1 Q13547 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 2/20 0.36
TACR2 P21452 1/20 0.36
TACR1 P25103 1/20 0.36
HPGD P15428 1/20 0.36
HTR1A P08908 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
SCHEMBL1086587 0.89 MEN1 (0.43) MEN1KMT2ANPC1RIPK1CYP3A4
SCHEMBL1086810 0.85 MEN1 (0.46) MEN1KMT2ARIPK1HPGD
SCHEMBL1086489 0.84 ALDH1A1 (0.46) MEN1KMT2ANPC1RIPK1CYP2D6
SCHEMBL1086649 0.83 CYP3A4 (0.42) RIPK1CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL1086756 0.83 CCR3 (0.42) NPC1RIPK1GRM2MMP13HDAC1
SCHEMBL1086246 0.83 RIPK1 (0.49) MEN1KMT2ANPC1RIPK1POLB
SCHEMBL1086470 0.82 FAAH (0.42) MEN1KMT2ACYP3A4CYP2D6GRM2
SCHEMBL4486191 0.81 MMP13 (0.40) KMT2AGRM2MMP13HDAC1TACR2
SCHEMBL1086449 0.80 MGLL (0.44) MEN1KMT2ARIPK1
SCHEMBL1086445 0.80 P2RX7 (0.40) TACR2TACR1

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
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
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 MEN1 1008/4885KMT2A 4267/4885NPC1 2536/4885

“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.