SCHEMBL2579158

SCHEMBL2579158

O=C(c1noc2c1CN(S(=O)(=O)c1cccc3ccccc13)CC2)N1CCN(c2nccs2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.42
KMT2A Q03164 2/20 0.41
SCD O00767 1/20 0.41
MAPT P10636 4/20 0.39
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
TP53 P04637 1/20 0.39
CNR1 P21554 1/20 0.37
HSD11B1 P28845 1/20 0.37
CHRM1 P11229 3/20 0.37
GBA1 P04062 1/20 0.37
PARP1 P09874 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
SCHEMBL2588200 0.86 GAA (0.46) SLC6A7KMT2ASCDMAPTLMNA
SCHEMBL2585117 0.80 MAPT (0.43) SLC6A7KMT2ASCDMAPTLMNA
SCHEMBL2954359 0.77 KMT2A (0.59) SLC6A7KMT2AMAPTLMNAMEN1
SCHEMBL5529398 0.76 HDAC3 (0.42) KMT2ALMNAMEN1CNR1
Hydrochloric Acid SCHEMBL2576090 0.76 HDAC3 (0.42) KMT2ALMNAMEN1CNR1
SCHEMBL2581957 0.69 GAA (0.46) LMNAMEN1ALDH1A1SMN1; SMN2
SCHEMBL2582300 0.65 ALDH1A1 (0.58) KMT2AMAPTLMNAMEN1ALDH1A1
SCHEMBL2582303 0.65 ALDH1A1 (0.58) KMT2AMAPTLMNAMEN1ALDH1A1
SCHEMBL8267176 0.64 SLC6A7 (0.85) SLC6A7SCDLMNAALDH1A1HSD11B1
SCHEMBL4264521 0.64 TSHR (0.50) KMT2AMAPTLMNAMEN1ALDH1A1

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 SLC6A7 881/4885KMT2A 4073/4885SCD 3964/4885

“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.