SCHEMBL2587431

SCHEMBL2587431

O=C(NCCN1CCCC1)c1noc2c1CN(C(=O)COc1cccc(Cl)c1)CC2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.46
FKBP1A P62942 1/20 0.46
APEX1 P27695 1/20 0.43
GRM5 P41594 1/20 0.43
HRH3 Q9Y5N1 3/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
KLKB1 P03952 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
ENPP2 Q13822 1/20 0.40
DRD4 P21917 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
SCHEMBL4267230 0.84 FKBP1A (0.54) HSP90AA1FKBP1AAPEX1GRM5KDM4E
SCHEMBL2586692 0.80 RAB9A (0.48) HSP90AA1GRM5GAALMNAALDH1A1
SCHEMBL2588237 0.78 SMN1; SMN2 (0.47) HSP90AA1APEX1GRM5GAAALDH1A1
SCHEMBL5531763 0.77 FKBP1A (0.53) FKBP1AKDM4ELMNAKMT2AENPP2
SCHEMBL2579127 0.76 RAB9A (0.45) HSP90AA1GAALMNAALDH1A1KMT2A
SCHEMBL2579235 0.76 HSP90AA1 (0.51) HSP90AA1GAAALDH1A1KMT2ADRD4
SCHEMBL2584836 0.75 HSP90AA1 (0.49) HSP90AA1GAALMNAALDH1A1KMT2A
SCHEMBL2580830 0.75 ATF4 (0.51) HSP90AA1GAALMNAALDH1A1KMT2A
SCHEMBL4267581 0.73 KMT2A (0.52) KDM4EGAALMNAALDH1A1KMT2A
SCHEMBL2580660 0.72 ALDH1A1 (0.60) HSP90AA1GAALMNAALDH1A1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 HSP90AA1 3575/4885FKBP1A 673/4885APEX1 2994/4885

“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.