SCHEMBL2587252

SCHEMBL2587252

COC(=O)CCCC(=O)N1CCc2onc(C(=O)NCc3ccc(F)cc3)c2C1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
LMNA P02545 4/20 0.54
TSHR P16473 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPK1 P28482 2/20 0.54
MEN1 O00255 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAPT P10636 2/20 0.50
RAB9A P51151 3/20 0.49
ATM Q13315 1/20 0.49
HSD17B10 Q99714 2/20 0.47
HPGD P15428 2/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 2/20 0.46
HSP90AA1 P07900 3/20 0.44
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL2580660 0.81 ALDH1A1 (0.60) ALDH1A1LMNATSHRKMT2AMAPK1
SCHEMBL2588184 0.76 MAPT (0.63) ALDH1A1LMNATSHRKMT2AMAPT
SCHEMBL13545833 0.74 ALDH1A1 (1.00) ALDH1A1LMNATSHRKMT2AMAPK1
SCHEMBL2580833 0.74 ALDH1A1 (0.53) ALDH1A1LMNATSHRKMT2AMAPK1
SCHEMBL4263699 0.72 MAPT (0.60) ALDH1A1LMNATSHRKMT2AMEN1
SCHEMBL2590848 0.72 ALDH1A1 (0.52) ALDH1A1LMNATSHRKMT2AMAPK1
SCHEMBL2589526 0.69 SMN1; SMN2 (0.48) ALDH1A1LMNATSHRKMT2AMAPK1
SCHEMBL4268590 0.69 MAPT (0.58) ALDH1A1LMNATSHRKMT2AMAPT
SCHEMBL4263116 0.69 LMNA (0.56) ALDH1A1LMNATSHRKMT2AMAPK1
SCHEMBL14891489 0.68 ENPP2 (0.55)

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 10 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-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 claimed
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 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 ALDH1A1 1107/4885LMNA 2302/4885TSHR 3849/4885

“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.