SCHEMBL2580830

SCHEMBL2580830

O=C(NC1CCCC1)c1noc2c1CN(C(=O)COc1ccc(Cl)cc1)CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATF4 P18848 3/20 0.51
HSP90AA1 P07900 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.50
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
MAPT P10636 3/20 0.50
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 2/20 0.45
TRPV1 Q8NER1 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
PRLHR P49683 4/20 0.42
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 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
SCHEMBL5533937 0.86 ATF4 (0.49) ATF4SMN1; SMN2RAB9AMAPTPOLB
SCHEMBL4263233 0.84 POLB (0.50) ATF4SMN1; SMN2RAB9AMAPTPOLB
SCHEMBL2585711 0.75 MAPT (0.58) HSP90AA1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL2587431 0.75 HSP90AA1 (0.46) HSP90AA1LMNAGAAALDH1A1KMT2A
SCHEMBL4267581 0.74 KMT2A (0.52) SMN1; SMN2RAB9ANPC1MAPTPOLB
SCHEMBL2579127 0.73 RAB9A (0.45) HSP90AA1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL4267230 0.73 FKBP1A (0.54) HSP90AA1MAPTTP53POLBLMNA
SCHEMBL2590810 0.72 HSP90AA1 (0.53) HSP90AA1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL19692540 0.69 ATF4 (1.00) ATF4SMN1; SMN2RAB9AMAPTPOLB
SCHEMBL15300430 0.67 SCD (0.45) HSP90AA1SMN1; SMN2RAB9ANPC1MAPT

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 ATF4 2865/4885HSP90AA1 3575/4885SMN1; 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.