SCHEMBL1572976

SCHEMBL1572976

COc1ccc([C@H]2CC[C@@H](C(=O)OC#N)CC2)cc1OC1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.71
PDE4A P27815 5/20 0.71
PDE4C Q08493 5/20 0.71
PDE4D Q08499 5/20 0.71
CTSK P43235 1/20 0.54

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
SCHEMBL1572502 1.00 PDE4B (0.71) PDE4BPDE4APDE4CPDE4DCTSK
SCHEMBL27481581 0.99 PDE4B (0.70) PDE4BPDE4APDE4CPDE4DCTSK
SCHEMBL15040911 0.83 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL5184039 0.83 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL7365382 0.81 PDE4B (0.82) PDE4BPDE4APDE4CPDE4D
SCHEMBL5708642 0.80 PDE4B (0.64) PDE4BPDE4APDE4CPDE4D
SCHEMBL6811981 0.79 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL6811975 0.79 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL6811984 0.79 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL7360513 0.79 PDE4B (0.82) PDE4BPDE4APDE4CPDE4D

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176221-B1 INDOLE INDANE AMIDE COMPOUNDS USEFUL AS CB2 AGONISTS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2011-04-13 EP claimed
US-7589206-B2 Pyrrolopyridine derivatives GLAXO GROUP LIMITED (GB) 2009-09-15 US disclosed
US-20080280868-A1 Pyridine Derivatives and Their Use as Cb2 Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
US-20080280952-A1 Pyridine Derivatives as Connabinoid Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine GLAXO GROUP LIMITED 2008-06-05 US disclosed
US-20070219229-A1 Pyrrolopyridine Derivatives GLAXO GROUP LIMITED (GB) 2007-09-20 US disclosed
US-20060019963-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2006-01-26 US disclosed
EP-1466598-A2 PDE-IV inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2004-10-13 EP disclosed
EP-0710109-B1 Method for identifying a PDE IV inhibitor SMITHKLINE BEECHAM CORP (US) 2004-09-15 EP disclosed
US-6555583-B2 Therapies for treating pulmonary diseases SMITHKLINE BEECHAM CORPORATION 2003-04-29 US disclosed
US-20020115111-A1 Enzymatic polypeptide for use in the treatment of inflammation SMITHKLINE BEECHAM CORPORATION 2002-08-22 US disclosed
US-20010056122-A1 Therapies for treating pulmonary diseases SMITHKLINE BEECHAM CORPORATION 2001-12-27 US disclosed
US-6288118-B1 Therapies for treating pulmonary diseases SMITHKLINE BEECHAM CORPORATION 2001-09-11 US disclosed
EP-1107747-A1 THERAPIES FOR TREATING PULMONARY DISEASES SMITHKLINE BEECHAM CORPORATION (US) 2001-06-20 EP disclosed
US-6143782-A BRONCHODILATOR FOR INHIBITING PDE IV CATALYSTS AND BINDING RROLIPRAM AND ADMINISTERING SMITHKLINE BEECHAM CORPORATION (US) 2000-11-07 US disclosed
WO-2000012078-A1 THERAPIES FOR TREATING PULMONARY DISEASES SMITHKLINE BEECHAM CORPORATION (US) 2000-03-09 WO disclosed
US-5998428-A ANTIINFLAMMATORY AGENT; SIDE EFFECT REDUCTION SMITHKLINE BEECHAM CORPORATION (US) 1999-12-07 US disclosed
EP-0710109-A4 COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1999-01-20 EP disclosed
EP-0710109-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-05-08 EP disclosed
WO-1995000139-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-01-05 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 (4 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-20080280868-A1 Pyridine Derivatives and Their Use as Cb2 Receptor Modulators CNR2, CNR1, TRPV1 PDE4B 980/4885PDE4A 1040/4885PDE4C 1372/4885
US-20070219229-A1 Pyrrolopyridine Derivatives CNR2, CNR1, TRPV1 PDE4B 1074/4885PDE4A 894/4885PDE4C 1366/4885
US-20080280952-A1 Pyridine Derivatives as Connabinoid Receptor Modulators CNR1, CNR2, P2RY1 PDE4B 1531/4885PDE4A 1827/4885PDE4C 2514/4885
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine CNR2, CNR1, PDE4A PDE4B 4/4885PDE4A 3/4885PDE4C 5/4885

“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.