SCHEMBL1086647

SCHEMBL1086647

Cc1cc(C(=O)N2CCC3(CC2)CN(Cc2ccccc2C(F)(F)F)C(=O)O3)ccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALOX15 P16050 2/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 4/20 0.42
LMNA P02545 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
SSTR5 P35346 3/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
EPHX2 P34913 2/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 3/20 0.38
MGLL Q99685 1/20 0.38
EPHX1 P07099 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 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
SCHEMBL1086700 0.87 ALDH1A1 (0.46) ALDH1A1TDP1ALOX15MAPTMEN1
SCHEMBL1086132 0.85 MGLL (0.40) LMNASSTR5MGLL
SCHEMBL1086435 0.85 RIPK1 (0.47) MEN1KMT2ALMNATSHRMGLL
SCHEMBL1086455 0.84 ALDH1A1 (0.45) ALDH1A1TDP1ALOX15MAPTMEN1
SCHEMBL1086873 0.82 SSTR5 (0.41) ALDH1A1TDP1ALOX15MAPTMEN1
SCHEMBL1086181 0.82 KDM4E (0.43) ALDH1A1TDP1ALOX15MAPTMEN1
SCHEMBL1087133 0.81 HPGD (0.46) ALDH1A1TDP1MAPTKDM4ELMNA
SCHEMBL1086321 0.81 HPGD (0.36) MAPTNPSR1SSTR5EPHX2TSHR
SCHEMBL1086623 0.81 SIRT2 (0.44) ALDH1A1TDP1ALOX15MEN1KMT2A
SCHEMBL1086233 0.80 ALDH1A1 (0.43) ALDH1A1TDP1ALOX15MAPTMEN1

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 ALDH1A1 220/4885TDP1 1144/4885ALOX15 799/4885

“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.