SCHEMBL5504906

SCHEMBL5504906

COc1cc2c(cc1OCC(F)F)C1CC(O)CCC1N=C2c1ccc(-c2cnco2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
AAK1 Q2M2I8 6/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
IMPDH2 P12268 6/20 0.33
GPR119 Q8TDV5 2/20 0.32
FPR2 P25090 1/20 0.31
PDE7A Q13946 1/20 0.31
PDE3A Q14432 1/20 0.31
PDE10A Q9Y233 1/20 0.31
IMPDH1 P20839 1/20 0.31
EGFR P00533 1/20 0.30
ERBB2 P04626 1/20 0.30

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
SCHEMBL5063164 0.84 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CPDE3A
SCHEMBL5483281 0.83 PDE4D (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL2264024 0.83 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CAAK1
SCHEMBL2264284 0.82 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CFPR2
SCHEMBL5509736 0.82 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CCYP2D6
SCHEMBL2267163 0.81 PDE10A (0.44) PDE4DPDE4APDE4BPDE4CPDE10A
SCHEMBL5506883 0.81 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CCYP3A4
SCHEMBL5623979 0.79 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CPDE10A
SCHEMBL5621856 0.79 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CPDE10A
SCHEMBL5064560 0.79 PDE4D (0.46) PDE4DPDE4APDE4BPDE4C

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-20070191413-A1 Novel heterocycle-substituted hydroxy-6-phenylphenanthridines and their use as pde4 inhibitors ATLANTA PHARMA AG (DE) 2007-08-16 US claimed
EP-1812400-A1 NOVEL HETEROCYCLYL-SUBSTITUTED HYDROXY-6-PHENYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS Altana Pharma AG (DE) 2007-08-01 EP claimed
WO-2005090311-A1 NOVEL HETEROCYCLYL-SUBSTITUTED HYDROXY-6-PHENYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2005-09-29 WO claimed
US-20070191413-A1 Novel heterocycle-substituted hydroxy-6-phenylphenanthridines and their use as pde4 inhibitors ATLANTA PHARMA AG (DE) 2007-08-16 US disclosed
EP-1812400-A1 NOVEL HETEROCYCLYL-SUBSTITUTED HYDROXY-6-PHENYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS Altana Pharma AG (DE) 2007-08-01 EP disclosed
WO-2005090311-A1 NOVEL HETEROCYCLYL-SUBSTITUTED HYDROXY-6-PHENYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2005-09-29 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-20070191413-A1 Novel heterocycle-substituted hydroxy-6-phenylphenanthridines and their use as pde4 inhibitors PDE4A, PDE4B, PDE4C PDE4D 4/4885PDE4A 1/4885PDE4B 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.