SCHEMBL4559969

SCHEMBL4559969

COc1ccc(C2CCC(N[C@H](C)c3ccccc3)CC2)c2c1oc1ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDE4B Q07343 4/20 0.41
PDE10A Q9Y233 3/20 0.41
MAOA P21397 4/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP17A1 P05093 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
KDM1A O60341 1/20 0.34
ACHE P22303 1/20 0.34
PDE4D Q08499 1/20 0.33

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
SCHEMBL4013452 0.79 MAOA (0.46) PDE4BPDE10AMAOAKDM4ENPC1
SCHEMBL4018060 0.76 MAOA (0.51) PDE4BPDE10AMAOAKDM4ENPC1
SCHEMBL8272339 0.70 MAOA (0.50) PDE4BPDE10AMAOAKDM4ENPC1
SCHEMBL8272318 0.70 PDE10A (0.56) PDE4BPDE10AMAOAKDM4ENPC1
SCHEMBL7705507 0.69 PDE10A (0.51) PDE4BPDE10AMAOAKDM4ENPC1
SCHEMBL27818229 0.69 GAA (0.85) GAAL3MBTL1ALDH1A1LMNAHTT
SCHEMBL664938 0.69 GAA (0.85) GAAL3MBTL1ALDH1A1LMNAHTT
SCHEMBL8271339 0.68 PDE10A (0.59) PDE4BPDE10AMAOAKDM4ENPC1
SCHEMBL8271478 0.68 PDE10A (0.63) PDE4BPDE10AMAOAKDM4ENPC1
SCHEMBL4012607 0.68 PDE10A (0.41) PDE4BPDE10AMAOAKDM4ENPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074106-B1 DIBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 MYLAN LAB LTD (IN) 2013-04-17 EP disclosed
US-8263648-B2 Diebenzofuran derivatives as inhibitors of PDE-4 and PDE-10 Mylan Laboratories Ltd. (IN) 2012-09-11 US disclosed
US-20090281131-A1 DIEBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 MYLAN LABORATORIES LIMITED (IN) 2009-11-12 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-20090281131-A1 DIEBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 PDE4A, PDE4B, PDE12 GAA 261/4885L3MBTL1 4154/4885PDE4B 2/4885

“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.