SCHEMBL2588901

SCHEMBL2588901

CCC(C)(CC(=O)O)CC(=O)N1CCc2onc(C(=O)Nc3ccccc3)c2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.45
NPC1 O15118 8/20 0.45
RAB9A P51151 8/20 0.45
ALDH1A1 P00352 6/20 0.45
MAPT P10636 5/20 0.45
RECQL P46063 4/20 0.45
KDM4E B2RXH2 3/20 0.45
POLB P06746 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
HSD17B10 Q99714 2/20 0.45
NR4A1 P22736 2/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
HSP90AA1 P07900 3/20 0.44
TP53 P04637 5/20 0.41
NPSR1 Q6W5P4 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
LMNA P02545 3/20 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
SCHEMBL2576000 0.81 HSP90AA1 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL15300430 0.80 SCD (0.45) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL15300427 0.80 SCD (0.48) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL2579032 0.78 SCD (0.43) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL2583163 0.74 HSP90AA1 (0.49) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL2578696 0.69 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL2580456 0.69 HSP90AA1 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL4263699 0.67 MAPT (0.60) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL4267581 0.66 KMT2A (0.52) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL2588184 0.66 MAPT (0.63) SMN1; SMN2NPC1RAB9AALDH1A1MAPT

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 SMN1; SMN2 4525/4885NPC1 1245/4885RAB9A 4445/4885

“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.