SCHEMBL2584766

SCHEMBL2584766

CC(C)CNC(=O)c1noc2c1CN(C(=O)C(NC(=O)OCc1ccccc1)c1ccccc1)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 3/20 0.43
TP53 P04637 1/20 0.43
HSP90AA1 P07900 4/20 0.42
CTSL P07711 3/20 0.42
CTSS P25774 2/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
OPRK1 P41145 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 2/20 0.40
ATM Q13315 1/20 0.39
CTSB P07858 2/20 0.39
CTSK P43235 2/20 0.39
GAA P10253 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
SCHEMBL4263116 0.74 LMNA (0.56) KMT2AALDH1A1HSP90AA1LMNAMAPK1
SCHEMBL16379865 0.71 OPRK1 (0.60) ALDH1A1CYP3A4TP53CTSLCTSS
SCHEMBL16419141 0.71 OPRK1 (0.60) ALDH1A1CYP3A4TP53CTSLCTSS
SCHEMBL21468975 0.70 CTSL (0.51) ALDH1A1CYP3A4TP53CTSLCTSS
SCHEMBL16379893 0.68 CTSL (0.53) ALDH1A1CYP3A4TP53CTSLCTSS
SCHEMBL16333011 0.68 CTSL (0.53) ALDH1A1CYP3A4TP53CTSLCTSS
SCHEMBL16379855 0.67 DPP4 (0.60) KMT2AMEN1ALDH1A1CYP3A4TP53
SCHEMBL21468978 0.67 BACE1 (0.48) ALDH1A1CYP3A4TP53CTSLCTSS
SCHEMBL2583226 0.66 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1HSP90AA1LMNA
SCHEMBL2586692 0.66 RAB9A (0.48) KMT2AALDH1A1HSP90AA1LMNAMAPK1

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-1869053-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-10-09 EP claimed
US-8048879-B2 Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-11-01 US claimed
US-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments GRUENENTHAL GMBH (DE) 2009-03-19 US claimed
EP-1869053-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-10-09 EP disclosed
US-8048879-B2 Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed
US-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments GRUENENTHAL GMBH (DE) 2009-03-19 US disclosed
EP-1869053-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2007-12-26 EP disclosed
WO-2006105945-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2006-10-12 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-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments P2RX5, P2RX4, P2RX7 KMT2A 4073/4885MEN1 2795/4885ALDH1A1 1107/4885

“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.