SCHEMBL1572501

SCHEMBL1572501

COc1ccc(C2CCC(C#N)(C(=O)O)CC2)cc1OC1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.64
PDE4A P27815 6/20 0.64
PDE4C Q08493 6/20 0.64
PDE4D Q08499 6/20 0.64

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
SCHEMBL29504585 1.00 PDE4B (0.64) PDE4BPDE4APDE4CPDE4D
SCHEMBL6745558 0.99 PDE4B (0.62) PDE4BPDE4APDE4CPDE4D
Lithium Ion SCHEMBL6745554 0.89 PDE4B (0.58) PDE4BPDE4APDE4CPDE4D
SCHEMBL6322653 0.84 PDE4B (0.62) PDE4BPDE4APDE4CPDE4D
SCHEMBL7368562 0.81 PDE4B (0.64) PDE4BPDE4APDE4CPDE4D
SCHEMBL7365058 0.79 PDE4B (0.61) PDE4BPDE4APDE4CPDE4D
SCHEMBL9167416 0.78 PDE4B (0.78) PDE4BPDE4APDE4CPDE4D
SCHEMBL5184039 0.78 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL15040911 0.78 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL7370366 0.77 PDE4B (0.59) 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 56 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-20090041722-A1 INDOLE INDANE AMIDE COMPOUNDS USEFUL AS CB2 AGONISTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY 2009-02-12 US claimed
US-20080292562-A1 Medicaments For Inhalation Comprising Pde IV Inhibitors and Enantiomerically Pure Glycopyrrolate Salts PIEPER MICHAEL P 2008-11-27 US claimed
US-20040176419-A1 Composition comprising a pde-4 inhibitor and h1-receptor antagonist and the use thereof for the manufacture of a medicament for the treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2004-09-09 US claimed
EP-1404369-A1 COMPOSITION COMPRISING A PDE-4 INHIBITOR AND H1-RECEPTOR ANTAGONIST AND THE USE THEREOF FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2004-04-07 EP claimed
WO-2003000289-A1 COMPOSITION COMPRISING A PDE-4 INHIBITOR AND H1-RECEPTOR ANTAGONIST AND THE USE THEREOF FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-01-03 WO claimed
US-7943658-B2 Indole indane amide compounds useful as CB2 agonists and method BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-17 US disclosed
EP-2176221-B1 INDOLE INDANE AMIDE COMPOUNDS USEFUL AS CB2 AGONISTS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2011-04-13 EP disclosed
EP-2176221-A1 INDOLE INDANE AMIDE COMPOUNDS USEFUL AS CB2 AGONISTS AND METHOD Bristol-Myers Squibb Company (US) 2010-04-21 EP disclosed
WO-2009154562-A1 PHARMACEUTICAL COMPOSITION COMPRISING A 4-HYDROXY-2-OXO-2, 3- DIHYDRO-1, 3-BENZOTHIAZOL-7-YL COMPOUND FOR MODULATION OF BETA2-ADRENORECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2009-12-23 WO disclosed
US-20090264452-A1 2-(Phenylamino)-Pyrimidin-5-Amides As Cannabinoid 2 Receptors Modulators for the Treatment of Immune or Inflammatory Disorders GLAXO GROUP LIMITED (GB) 2009-10-22 US disclosed
US-20090041722-A1 INDOLE INDANE AMIDE COMPOUNDS USEFUL AS CB2 AGONISTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY 2009-02-12 US disclosed
WO-2009015169-A1 INDOLE INDANE AMIDE COMPOUNDS USEFUL AS CB2 AGONISTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-29 WO 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-20040176419-A1 Composition comprising a pde-4 inhibitor and h1-receptor antagonist and the use thereof for the manufacture of a medicament for the treatment of respiratory diseases PDE4A, PDE12, HRH4 PDE4B 4/4885PDE4A 1/4885PDE4C 8/4885
US-20090264452-A1 2-(Phenylamino)-Pyrimidin-5-Amides As Cannabinoid 2 Receptors Modulators for the Treatment of Immune or Inflammatory Disorders CNR2, CNR1, P2RY2 PDE4B 1013/4885PDE4A 1364/4885PDE4C 1209/4885
US-20080292562-A1 Medicaments For Inhalation Comprising Pde IV Inhibitors and Enantiomerically Pure Glycopyrrolate Salts PDE3A, PDE3B, PDE12 PDE4B 7/4885PDE4A 5/4885PDE4C 10/4885
US-20090041722-A1 INDOLE INDANE AMIDE COMPOUNDS USEFUL AS CB2 AGONISTS AND METHOD CNR2, CNR1, GPR68 PDE4B 1514/4885PDE4A 1262/4885PDE4C 1887/4885

“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.