SCHEMBL2579032

SCHEMBL2579032

O=C(O)CC1(CC(=O)N2CCc3onc(C(=O)Nc4ccccc4)c3C2)CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.43
SCD5 Q86SK9 1/20 0.43
NPC1 O15118 10/20 0.42
RAB9A P51151 10/20 0.42
SMN1; SMN2 Q16637 8/20 0.42
ALDH1A1 P00352 7/20 0.42
RECQL P46063 4/20 0.42
MAPT P10636 4/20 0.42
POLB P06746 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
LMNA P02545 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
NR4A1 P22736 2/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
TP53 P04637 4/20 0.42
HTT P42858 1/20 0.42
APEX1 P27695 1/20 0.42

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
SCHEMBL15300427 0.82 SCD (0.48) SCDSCD5NPC1RAB9ASMN1; SMN2
SCHEMBL15300430 0.80 SCD (0.45) SCDSCD5NPC1RAB9ASMN1; SMN2
SCHEMBL2583163 0.74 HSP90AA1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL2578696 0.67 SMN1; SMN2 (0.66) NPC1RAB9ASMN1; SMN2ALDH1A1RECQL
SCHEMBL4267581 0.66 KMT2A (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2579127 0.66 RAB9A (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2579399 0.66 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL2579271 0.66 HSP90AA1 (0.44) SCDSCD5NPC1RAB9ASMN1; SMN2
SCHEMBL5526492 0.65 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4263699 0.65 MAPT (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1RECQL

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 SCD 3964/4885SCD5 1070/4885NPC1 1245/4885

“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.