SCHEMBL2585773

SCHEMBL2585773

O=C(c1noc2c1CN(S(=O)(=O)c1cc(Cl)ccc1Cl)CC2)N(CCc1ccccc1)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
ABCB1 P08183 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL5529321 0.87 OPRM1 (0.42) OPRM1OPRD1CRHBPCRHR2TDP1
SCHEMBL4264818 0.81 ALDH1A1 (0.48) TDP1PKMALDH1A1MEN1KMT2A
SCHEMBL2582296 0.80 CRHBP (0.44) OPRM1OPRD1CRHBPCRHR2CA12
SCHEMBL2585772 0.79 TDP1 (0.41) TDP1PKMALDH1A1MEN1KMT2A
SCHEMBL2587147 0.78 CRHBP (0.42) OPRM1OPRD1CRHBPCRHR2CA12
SCHEMBL2584833 0.76 NPC1 (0.44) TDP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL2586645 0.74 TP53 (0.52) TDP1PKMALDH1A1MEN1KMT2A
SCHEMBL2404639 0.74 OPRM1 (0.47) OPRM1OPRD1CRHBPCRHR2TDP1
SCHEMBL5531260 0.73 ALDH1A1 (0.45) TDP1PKMALDH1A1MEN1KMT2A
SCHEMBL2588879 0.70 HSP90AA1 (0.42) TDP1ALDH1A1MEN1KMT2ALMNA

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 OPRM1 847/4885OPRD1 1629/4885CRHBP 4195/4885

“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.