SCHEMBL5506883

SCHEMBL5506883

COc1cc2c(cc1OCC(F)F)C1CC(O)CCC1N=C2c1ccc(-n2ccnc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.42
PDE4B Q07343 3/20 0.42
PDE4A P27815 2/20 0.42
PDE4C Q08493 2/20 0.42
MCHR1 Q99705 1/20 0.36
ADRB2 P07550 3/20 0.34
ADRB1 P08588 3/20 0.34
ADRB3 P13945 3/20 0.34
POLB P06746 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
CYP19A1 P11511 3/20 0.32
CYP1A2 P05177 3/20 0.32
CYP2D6 P10635 3/20 0.32
CYP2C9 P11712 3/20 0.32
CYP2C19 P33261 3/20 0.32
CYP3A4 P08684 1/20 0.32
ESR1 P03372 2/20 0.31
CD274 Q9NZQ7 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL5503762 0.91 PDE4D (0.48) PDE4DPDE4BPDE4APDE4CMCHR1
SCHEMBL5506282 0.91 PDE4D (0.48) PDE4DPDE4BPDE4APDE4CMCHR1
SCHEMBL5510203 0.91 PDE4D (0.48) PDE4DPDE4BPDE4APDE4CMCHR1
SCHEMBL5509736 0.87 PDE4D (0.42) PDE4DPDE4BPDE4APDE4CMCHR1
SCHEMBL5063164 0.83 PDE4D (0.43) PDE4DPDE4BPDE4APDE4C
SCHEMBL2264024 0.82 PDE4D (0.40) PDE4DPDE4BPDE4APDE4CCYP1A2
SCHEMBL5483281 0.82 PDE4D (0.43) PDE4DPDE4BPDE4APDE4C
SCHEMBL2266059 0.81 PDE4D (0.45) PDE4DPDE4BPDE4APDE4CCYP1A2
SCHEMBL18092833 0.81 PDE4D (0.45) PDE4DPDE4BPDE4APDE4CCYP1A2
SCHEMBL1411087 0.81 PDE4D (0.45) PDE4DPDE4BPDE4APDE4CCYP1A2

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 4/4885PDE4B 2/4885PDE4A 1/4885

“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.