SCHEMBL1086587

SCHEMBL1086587

O=C1OC2(CCN(C(=O)c3ccc(Cl)nc3)CC2)CN1Cc1ccc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 2/20 0.40
HPGD P15428 1/20 0.40
RIPK1 Q13546 1/20 0.40
ENPP2 Q13822 1/20 0.40
ATXN2 Q99700 1/20 0.40
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
PARP1 P09874 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL4259054 0.89 MEN1 (0.42) MEN1KMT2ANPC1HPGDRIPK1
SCHEMBL1086705 0.86 RAB9A (0.43) MEN1KMT2ASMN1; SMN2RAB9AHPGD
SCHEMBL1086560 0.84 RAB9A (0.44) MEN1KMT2ASMN1; SMN2RAB9AHPGD
SCHEMBL1085733 0.84 PRKAA2 (0.49) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL1086756 0.83 CCR3 (0.42) NPC1HPGDRIPK1HDAC1
SCHEMBL1086489 0.81 ALDH1A1 (0.46) MEN1KMT2ASMN1; SMN2NPC1HPGD
SCHEMBL1086470 0.81 FAAH (0.42) MEN1KMT2AHDAC1CYP3A4CYP2C9
SCHEMBL1086442 0.81 SMN1; SMN2 (0.44) SMN1; SMN2RAB9AHPGDRIPK1MMP2
SCHEMBL4486191 0.80 MMP13 (0.40) KMT2AHDAC1
SCHEMBL1086233 0.80 ALDH1A1 (0.43) MEN1KMT2ASMN1; SMN2RAB9AHPGD

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 MEN1 1008/4885KMT2A 4267/4885SMN1; SMN2 3067/4885

“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.