SCHEMBL4126031

SCHEMBL4126031

COc1c(C(=O)Nc2c(Cl)cncc2Cl)ccc(OC(F)F)c1C1CC1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 15/20 0.61
PDE4B Q07343 17/20 0.54
PDE4A P27815 15/20 0.54
PDE4C Q08493 14/20 0.54
ABCB11 O95342 1/20 0.52
GFER P55789 1/20 0.47
PDE11A Q9HCR9 1/20 0.46

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
SCHEMBL1202997 0.87 PDE4D (0.44) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL720382 0.83 PDE4D (0.62) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL5794099 0.83 PDE4D (0.65) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL6571717 0.80 PDE4D (0.61) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL4388724 0.78 L3MBTL1 (0.34) PDE4DPDE4BPDE4APDE4C
SCHEMBL5950136 0.77 MAPT (0.43) PDE4DPDE4BPDE4APDE4C
SCHEMBL7425565 0.74 PDE4D (0.59) PDE4DPDE4BPDE4APDE4CGFER
SCHEMBL7065703 0.73 PDE4A (0.54) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL7534706 0.73 PDE4D (0.80) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL30084836 0.73 PDE4D (0.80) PDE4DPDE4BPDE4APDE4CABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006528229-A 2006-12-14 JP claimed
US-20060079540-A1 Pde4 and pde3/4 inhibitors for use in the treatment of cachexia ALTANA PHARMA AG (DE) 2006-04-13 US claimed
EP-1628682-A2 COMPOSITION COMPRISING A PDE4 INHIBITOR AND A PDE5 INHIBITOR ALTANA Pharma AG (DE) 2006-03-01 EP claimed
US-6998410-B2 Compositions ALTANA PHARMA AG (DE) 2006-02-14 US claimed
EP-1610788-A1 SYNERGISTIC COMBINATION COMPRISING ROFLUMILAST AND AN ANTICHOLINERGIC AGENT SELECTED FROM IPRATROPIUM, OXITROPIUM AND TIOTROPIUM SALTS FOR THE TREATMENT OF RESPIRATORY DISEASES ALTANA Pharma AG (DE) 2006-01-04 EP claimed
EP-1587512-A2 PDE4 INHIBITORS FOR THE TREATMENT OF NEOPLASMS OF LYMPHOID CELLS ALTANA Pharma AG (DE) 2005-10-26 EP claimed
EP-1567136-A1 PDE4 AND PDE3/4 INHIBITORS FOR USE IN THE TREATMENT OF CACHEXIA ALTANA Pharma AG (DE) 2005-08-31 EP claimed
WO-2004103407-A2 COMPOSITION COMPRISING A PDE4 INHIBITOR AND A PDE5 INHIBITOR ALTANA PHARMA AG (DE) 2004-12-02 WO claimed
WO-2004084897-A1 SYNERGISTIC COMBINATION COMPRISING ROFLUMILAST AND AN ANTICHOLINERGIC AGENT SELECTED FROM IPRATROPIUM, OXITROPIUM AND TIOTROPIUM SALTS FOR THE TREATMENT OF RESPIRATORY DISEASES ALTANA PHARMA AG (DE) 2004-10-07 WO claimed
WO-2004062671-A2 PDE4 INHIBITORS FOR THE TREATMENT OF NEOPLASMS OF LYMPHOID CELLS ALTANA PHARMA AG (DE) 2004-07-29 WO claimed
WO-2004047817-A1 PDE4 AND PDE3/4 INHIBITORS FOR USE IN THE TREATMENT OF CACHEXIA ALTANA PHARMA AG (DE) 2004-06-10 WO claimed
US-8648100-B2 Roflumilast for the treatment of pulmonary hypertension TAKEDA GMBH (DE) 2014-02-11 US disclosed
US-20090215836-A1 Roflumilast for the Treatment of Pulmonary Hypertension NYCOMED GMBH (DE) 2009-08-27 US disclosed
EP-1874308-A1 ROFLUMILAST FOR THE TREATMENT OF DIABETES MELLITUS Nycomed GmbH (DE) 2008-01-09 EP disclosed
EP-1874309-A1 ROFLUMILAST FOR THE TREATMENT OF PULMONARY HYPERTENSION Nycomed GmbH (DE) 2008-01-09 EP disclosed
EP-1161239-A2 3-CYCLOPROPYLMETHOXY-4-DIFLUOROMETHOXY-N-(3,5-DICHLOROPYRID-4-YL)BENZAMIDE IN THE TREATMENT OF MULTIPLE SCLEROSIS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-12-12 EP disclosed
WO-2000066123-A1 SYNERGISTIC COMBINATION COMPRISING ROFLUMILAST AND A PDE-3 INHIBITOR BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-11-09 WO disclosed
WO-2000053182-A2 3-CYCLOPROPYLMETHOXY-4-DIFLUOROMETHOXY-N-(3,5-DICHLOROPYRID-4-YL)BENZAMIDE IN THE TREATMENT OF MULTIPLE SCLEROSIS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-09-14 WO disclosed
EP-0977577-A1 COMPOSITIONS FOR THE TREATMENT OF ARDS OR IRDS CONTAINING 3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLORO-4-PYRIDINYL)-4-(DIFLUOROMETHOXY)BENZAMIDE AND LUNG SURFACTANT Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2000-02-09 EP disclosed
WO-1998035683-A1 COMPOSITIONS FOR THE TREATMENT OF ARDS OR IRDS CONTAINING 3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLORO-4-PYRIDINYL)-4-(DIFLUOROMETHOXY)BENZAMIDE AND LUNG SURFACTANT BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-08-20 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 (2 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-20060079540-A1 Pde4 and pde3/4 inhibitors for use in the treatment of cachexia PDE4A, PDE12, PDE4B PDE4D 8/4885PDE4B 3/4885PDE4A 1/4885
US-20090215836-A1 Roflumilast for the Treatment of Pulmonary Hypertension PDE5A, PDE12, PDE3A PDE4D 12/4885PDE4B 8/4885PDE4A 9/4885

“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.