SCHEMBL5355047

SCHEMBL5355047

COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@@]2(C)C=O)cc1OCC1CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.42
DRD4 P21917 3/20 0.42
PDE4A P27815 3/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
DRD2 P14416 1/20 0.39

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
SCHEMBL5355045 1.00 PDE4B (0.42) PDE4BDRD4PDE4APDE4CPDE4D
SCHEMBL5358844 0.91 DRD4 (0.42) PDE4BDRD4PDE4APDE4CPDE4D
SCHEMBL14576900 0.91 DRD4 (0.42) PDE4BDRD4PDE4APDE4CPDE4D
SCHEMBL5349673 0.90 MAPK1 (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL5362296 0.86 PDE4A (0.44) PDE4BPDE4APDE4CPDE4DACHE
SCHEMBL5351255 0.85 PDE4A (0.56) PDE4BPDE4APDE4CPDE4D
SCHEMBL5370228 0.85 PDE4A (0.56) PDE4BPDE4APDE4CPDE4D
SCHEMBL5355355 0.84 PDE4B (0.48) PDE4BDRD4PDE4APDE4CPDE4D
SCHEMBL5355353 0.84 PDE4B (0.48) PDE4BDRD4PDE4APDE4CPDE4D
SCHEMBL4528119 0.83 PDE4B (0.43) PDE4BDRD4PDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176229-B2 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2007-02-13 US disclosed
US-7176229-B2 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2007-02-13 US disclosed
US-7176229-B2 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2007-02-13 US disclosed
EP-1242400-B1 PYRROLIDINE DERIVATIVES AS CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORP (US) 2006-05-03 EP disclosed
US-20060074123-A1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2006-04-06 US disclosed
US-6998416-B2 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2006-02-14 US disclosed
US-20040152754-A1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (A WASHINGTON CORPORATION) 2004-08-05 US disclosed
US-6716871-B2 OBESITY; INFLAMMATORY DISEASES, DISEASES INVOLVING ELEVATED LEVELS OF CYTOKINES, CENTRAL NERVOUS SYSTEM DISORDERS; 3-HYDROXYALKYL-4-DIALKOXYPHENYL-SUBSTITUTED PYRROLIDINES ICOS CORPORATION 2004-04-06 US disclosed
US-20040023945-A1 CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION 2004-02-05 US disclosed
EP-1242400-A1 PYRROLIDINE DERIVATIVES AS CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2002-09-25 EP disclosed
US-6423710-B1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION 2002-07-23 US disclosed
WO-2001047905-A1 PYRROLIDINE DERIVATIVES AS CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2001-07-05 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 (3 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-20040023945-A1 CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE7A PDE4B 2/4885DRD4 1782/4885PDE4A 1/4885
US-20040152754-A1 Cyclic AMP-specific phosphodiesterase inhibitors PDE4A, PDE4B, PDE7A PDE4B 2/4885DRD4 1782/4885PDE4A 1/4885
US-20060074123-A1 Cyclic AMP-specific phosphodiesterase inhibitors PDE4A, PDE4B, PDE7A PDE4B 2/4885DRD4 1782/4885PDE4A 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.