SCHEMBL1086384

SCHEMBL1086384

O=C1OC2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CN1Cc1cccc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
RIPK1 Q13546 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
KMT2A Q03164 3/20 0.39
PKM P14618 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 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
SCHEMBL1086411 0.87 ALDH1A1 (0.40) HTTRAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL1086830 0.87 CCR8 (0.46) HTTRIPK1SMN1; SMN2KMT2AALDH1A1
SCHEMBL1086429 0.86 RIPK1 (0.47) HTTRIPK1SMN1; SMN2KMT2AALDH1A1
SCHEMBL1086413 0.85 SMN1; SMN2 (0.44) HTTRIPK1SMN1; SMN2KMT2AALDH1A1
SCHEMBL1086391 0.83 MEN1 (0.50) HTTRIPK1SMN1; SMN2KMT2AALDH1A1
SCHEMBL1086067 0.83 MEN1 (0.59) KMT2AALDH1A1MEN1MAPK1
SCHEMBL1086125 0.82 KDM4E (0.45) HTTRIPK1SMN1; SMN2KMT2AALDH1A1
SCHEMBL1086118 0.81 ALDH1A1 (0.47) SMN1; SMN2KMT2AALDH1A1MEN1KDM4E
SCHEMBL1086302 0.81 MCHR1 (0.48) HTTSMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL4256335 0.81 SIRT2 (0.42) SMN1; SMN2KDM4ETDP1

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 HTT 2340/4885ATM 3983/4885NPC1 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.