SCHEMBL4267314

SCHEMBL4267314

O=C(O)c1noc2c1CN(C(=O)c1cccc(SC(F)F)c1)CC2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HSP90AA1 P07900 8/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GRM5 P41594 1/20 0.36
KCNH2 Q12809 1/20 0.36
KMT2A Q03164 1/20 0.36
CDK4 P11802 2/20 0.36
CCND1 P24385 2/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL5526654 0.87 ALDH1A1 (0.35) NPC1RAB9AHSP90AA1SMN1; SMN2ALDH1A1
SCHEMBL2575999 0.83 HSP90AA1 (0.46) NPC1RAB9AHSP90AA1SMN1; SMN2ALDH1A1
SCHEMBL4261422 0.78 HSD11B1 (0.46) NPC1RAB9AHSP90AA1SMN1; SMN2ALDH1A1
SCHEMBL4267349 0.76 HSP90AA1 (0.47) NPC1RAB9AHSP90AA1ALDH1A1
SCHEMBL4270537 0.76 HSP90AA1 (0.46) NPC1RAB9AHSP90AA1HPGDPTGDR2
SCHEMBL4267339 0.73 HSP90AA1 (0.46) NPC1RAB9AHSP90AA1ALDH1A1HPGD
SCHEMBL4267754 0.73 DPP4 (0.45) NPC1RAB9AHSP90AA1SMN1; SMN2ALDH1A1
SCHEMBL4259746 0.72 LMNA (0.50) NPC1RAB9AHSP90AA1SMN1; SMN2ALDH1A1
SCHEMBL4274149 0.71 ALDH1A1 (0.48) NPC1RAB9AHSP90AA1SMN1; SMN2ALDH1A1
SCHEMBL4267221 0.71 HPGD (0.55) NPC1RAB9AHSP90AA1SMN1; SMN2HPGD

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 6 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-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-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

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 NPC1 1245/4885RAB9A 4445/4885HSP90AA1 3575/4885

“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.