SCHEMBL2590810

SCHEMBL2590810

O=C(NC1CCCC1)c1noc2c1CN(C(=O)C=Cc1ccccc1)CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.53
RAB9A P51151 8/20 0.50
NPC1 O15118 7/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
MAPT P10636 3/20 0.50
TP53 P04637 1/20 0.50
LMNA P02545 3/20 0.45
HIF1A Q16665 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.42
C3AR1 Q16581 1/20 0.42
DHODH Q02127 1/20 0.40
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL5530113 0.84 RAB9A (0.41) HSP90AA1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4264840 0.84 RAB9A (0.49) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL4264844 0.84 RAB9A (0.49) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL2585600 0.81 HSP90AA1 (0.45) HSP90AA1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL5532889 0.75 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL2580830 0.72 ATF4 (0.51) HSP90AA1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL29425117 0.70 HSP90AA1 (0.51) HSP90AA1SMN1; SMN2
SCHEMBL22616055 0.70 HSP90AA1 (0.51) HSP90AA1SMN1; SMN2
SCHEMBL12684591 0.70 HPGD (0.47) HSP90AA1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL12486947 0.70 HPGD (0.47) HSP90AA1RAB9ANPC1SMN1; SMN2MAPT

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 HSP90AA1 3575/4885RAB9A 4445/4885NPC1 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.