SCHEMBL4560463

SCHEMBL4560463

COc1ccc([C@@H]2CN(C(=O)C(O)Cc3ccccc3)C[C@@]2(C)[C@@H](C)O)cc1OCC#Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.54
AGTR2 P50052 3/20 0.37
ACACB O00763 2/20 0.37
PDE4A P27815 4/20 0.35
PDE4C Q08493 4/20 0.35
PDE4D Q08499 4/20 0.35
PDE7A Q13946 1/20 0.34

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
SCHEMBL4560461 1.00 PDE4B (0.54) PDE4BAGTR2ACACBPDE4APDE4C
SCHEMBL4538071 0.92 PDE4B (0.63) PDE4BAGTR2PDE4APDE4CPDE4D
SCHEMBL4538042 0.92 PDE4B (0.63) PDE4BAGTR2PDE4APDE4CPDE4D
SCHEMBL5355845 0.92 PDE4B (0.63) PDE4BAGTR2PDE4APDE4CPDE4D
SCHEMBL5355796 0.92 PDE4B (0.54) PDE4BAGTR2PDE4APDE4CPDE4D
SCHEMBL14576549 0.90 PDE4B (0.47) PDE4BAGTR2ACACBPDE4APDE4C
SCHEMBL5756458 0.89 PDE4B (0.51) PDE4BAGTR2PDE4APDE4CPDE4D
SCHEMBL5759093 0.89 PDE4B (0.50) PDE4BAGTR2PDE4APDE4CPDE4D
SCHEMBL5355052 0.88 PDE4B (0.49) PDE4BAGTR2PDE4APDE4CPDE4D
SCHEMBL5791891 0.88 PDE4B (0.49) PDE4BAGTR2PDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4294903-B2 2009-07-15 JP claimed
EP-1242400-B1 PYRROLIDINE DERIVATIVES AS CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORP (US) 2006-05-03 EP claimed
US-20040152754-A1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (A WASHINGTON CORPORATION) 2004-08-05 US claimed
US-20040023945-A1 CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION 2004-02-05 US claimed
JP-2003519135-A 2003-06-17 JP claimed
EP-1242400-A1 PYRROLIDINE DERIVATIVES AS CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2002-09-25 EP claimed
US-6423710-B1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION 2002-07-23 US claimed
WO-2001047905-A1 PYRROLIDINE DERIVATIVES AS CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2001-07-05 WO claimed
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 2/4885AGTR2 2380/4885ACACB 2429/4885
US-20040152754-A1 Cyclic AMP-specific phosphodiesterase inhibitors PDE4A, PDE4B, PDE7A PDE4B 2/4885AGTR2 2380/4885ACACB 2429/4885
US-20060074123-A1 Cyclic AMP-specific phosphodiesterase inhibitors PDE4A, PDE4B, PDE7A PDE4B 2/4885AGTR2 2380/4885ACACB 2429/4885

“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.