SCHEMBL2587840

SCHEMBL2587840

O=C(NCCc1ccccc1)c1noc2c1CN(C(=O)c1ccc(F)c(Cl)c1)CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HSP90AA1 P07900 7/20 0.49
HTR1A P08908 3/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.41
ADRA1A P35348 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 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
SCHEMBL15300254 0.86 HTR1A (0.46) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL4270537 0.83 HSP90AA1 (0.46) RAB9ANPC1HSP90AA1HTR1ALMNA
SCHEMBL2586908 0.77 ALDH1A1 (0.58) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL2583226 0.75 ALDH1A1 (0.60) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL2576088 0.75 HSP90AA1 (0.54) GAAALDH1A1HSP90AA1KMT2ALMNA
SCHEMBL2589376 0.73 HSP90AA1 (0.48) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL2585095 0.73 ALDH1A1 (0.55) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL13545787 0.71 RAB9A (0.98) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL2582036 0.71 GAA (0.52) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL4267349 0.70 HSP90AA1 (0.47) RAB9ANPC1ALDH1A1HSP90AA1MAPK1

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 5 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
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

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

“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.