SCHEMBL2199294

SCHEMBL2199294

Cc1cccc(-c2ccc3c(NCc4ccc(C(C)(C)C)cc4)noc3c2)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.47
WNT3A P56704 8/20 0.41
HIF1A Q16665 1/20 0.40
KCNA5 P22460 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL2198702 0.84 HIF1A (0.52) EPHX2WNT3AHIF1AKCNA5TRPV1
SCHEMBL2198502 0.83 EPHX2 (0.55) EPHX2WNT3AHIF1AKCNA5LMNA
SCHEMBL2196423 0.79 EPHX2 (0.61) EPHX2WNT3AHIF1AKCNA5TRPV1
SCHEMBL12426115 0.77 EPHX2 (0.52) EPHX2HIF1AKCNA5TRPV1LMNA
SCHEMBL2198123 0.71 HPGD (0.54) EPHX2WNT3AHIF1AKCNA5LMNA
SCHEMBL23600960 0.70 CCR1 (0.56) LMNAMEN1NPC1MAPTKMT2A
SCHEMBL2197915 0.68 CLK4 (0.52) EPHX2HIF1ALMNAKDM4EMEN1
SCHEMBL13146632 0.68 EPHX2 (0.51) EPHX2HIF1AKCNA5LMNAKDM4E
SCHEMBL2197333 0.67 PDE5A (0.48) EPHX2MEN1MAPTKMT2ANPSR1
SCHEMBL2199265 0.67 CLK4 (0.51) HIF1ALMNAKDM4EMEN1MAPT

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-7977360-B2 Benzo[d]isoxazol-3-yl-amine compounds and their use as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2011-07-12 US claimed
EP-1888541-B1 BENZO(D)ISOXAZOL-3-YL-AMINE COMPOUNDS AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2009-08-05 EP claimed
US-20090042945-A1 Benzo[d]isoxazol-3-yl-amine Compounds and Their Use as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2009-02-12 US claimed
US-7977360-B2 Benzo[d]isoxazol-3-yl-amine compounds and their use as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2011-07-12 US disclosed
EP-1888541-B1 BENZO(D)ISOXAZOL-3-YL-AMINE COMPOUNDS AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2009-08-05 EP disclosed
US-20090042945-A1 Benzo[d]isoxazol-3-yl-amine Compounds and Their Use as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2009-02-12 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-20090042945-A1 Benzo[d]isoxazol-3-yl-amine Compounds and Their Use as Vanilloid Receptor Ligands TRPV1, TRPV3, TRPV5 EPHX2 3605/4885WNT3A 1492/4885HIF1A 2129/4885

“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.