SCHEMBL2581935

SCHEMBL2581935

O=C(c1noc2c1CN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC2)N1CCC(CCN2CCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
HTR7 P34969 3/20 0.39
HTR1A P08908 2/20 0.39
DRD2 P14416 2/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR1E P28566 1/20 0.39
ADRA1B P35368 1/20 0.39
DRD3 P35462 1/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
BDKRB1 P46663 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 1/20 0.37
MAPT P10636 2/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
TP53 P04637 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL2586727 0.88 ALDH1A1 (0.43) L3MBTL1LMNATSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL2581062 0.83 SLC2A1 (0.40) L3MBTL1HTR7DRD2LMNAMAPT
SCHEMBL2585530 0.82 MEN1 (0.40) LMNAMEN1KMT2AHPGDMAPT
SCHEMBL2586164 0.81 MAPT (0.43) L3MBTL1LMNATSHRMEN1KMT2A
SCHEMBL5527973 0.81 MAPT (0.42) LMNAMEN1KMT2AHPGDMAPT
SCHEMBL5529398 0.80 HDAC3 (0.42) HTR7HTR1ADRD2HTR1DHTR1B
Hydrochloric Acid SCHEMBL2576090 0.79 HDAC3 (0.42) HTR7HTR1ADRD2HTR1DHTR1B
SCHEMBL2585147 0.76 LMNA (0.40) LMNATSHRMEN1KMT2AMAPT
SCHEMBL2587258 0.72 KMT2A (0.44) LMNATSHRMEN1KMT2AMAPT
SCHEMBL2588237 0.71 SMN1; SMN2 (0.47) TSHRMEN1KMT2AALDH1A1

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
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

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 L3MBTL1 4876/4885HTR7 61/4885HTR1A 430/4885

“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.