SCHEMBL2587147

SCHEMBL2587147

O=C(c1noc2c1CN(S(=O)(=O)c1ccc(OC(F)(F)F)cc1)CC2)N(CCc1ccccc1)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
LIMK1 P53667 1/20 0.38
LIMK2 P53671 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
NR3C1 P04150 1/20 0.38
DAGLA Q9Y4D2 2/20 0.38
DAGLB Q8NCG7 1/20 0.38
CHRM5 P08912 1/20 0.37
CXCR3 P49682 1/20 0.37
LIPE Q05469 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 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
SCHEMBL15300377 0.88 CRHBP (0.39) CRHBPCRHR2OPRM1OPRD1NR3C1
SCHEMBL2582296 0.85 CRHBP (0.44) CRHBPCRHR2OPRM1OPRD1CA12
SCHEMBL4260241 0.81 SMN1; SMN2 (0.46) LIPEMEN1KMT2ASMN1; SMN2
SCHEMBL2579176 0.80 SMN1; SMN2 (0.41) LIPEMEN1KMT2ASMN1; SMN2
SCHEMBL2587146 0.80 SMN1; SMN2 (0.43) CXCR3LIPEMEN1KMT2ASMN1; SMN2
SCHEMBL2585773 0.78 OPRM1 (0.46) CRHBPCRHR2OPRM1OPRD1CA12
SCHEMBL2586748 0.76 GAA (0.41) LIPEMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL2583662 0.76 BCHE (0.47) CHRM5
SCHEMBL5531317 0.75 AKR1C3 (0.43) LIPEMEN1KMT2ASMN1; SMN2
SCHEMBL2405022 0.74 MEN1 (0.46) CRHBPCRHR2OPRM1OPRD1LIMK1

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 CRHBP 4195/4885CRHR2 2122/4885OPRM1 847/4885

“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.