SCHEMBL3453074

SCHEMBL3453074

COc1ccc(C2=NN(C3CCN(C(=O)CN4C(=O)COCC4=O)CC3)C(=O)C(C)(C)C2)cc1OC

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.77
PDE4D Q08499 4/20 0.58
PDE4A P27815 1/20 0.55
PDE4C Q08493 1/20 0.55

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
SCHEMBL3451908 0.93 PDE4B (0.75) PDE4BPDE4DPDE4APDE4C
SCHEMBL3453216 0.87 PDE4B (0.77) PDE4BPDE4DPDE4APDE4C
SCHEMBL184197 0.87 PDE4B (1.00) PDE4BPDE4D
SCHEMBL4670548 0.81 PDE4B (0.56) PDE4BPDE4DPDE4APDE4C
Hydrochloric Acid SCHEMBL3450829 0.81 PDE4B (0.55) PDE4BPDE4DPDE4APDE4C
SCHEMBL14251185 0.80 PDE4B (0.61) PDE4BPDE4DPDE4APDE4C
SCHEMBL184520 0.79 PDE4B (1.00) PDE4BPDE4D
SCHEMBL183968 0.79 PDE4B (1.00) PDE4BPDE4D
SCHEMBL3453330 0.79 PDE4B (0.64) PDE4BPDE4DPDE4APDE4C
SCHEMBL27936396 0.78 PDE4B (0.53) PDE4BPDE4DPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716133-B1 2-(PIPERIDIN-4-YL)-4,5-DIHYDRO-2H-PYRIDAZIN-3-ONE DERIVATIVES AS PDE4 INHIBITORS NYCOMED GMBH (DE) 2008-03-26 EP claimed
US-7820669-B2 2-(piperidin-4-yl)-4,5-dihydro-2H-pyridazin-3-one derivatives as PDE4 inhibitors NYCOMED GMBH (DE) 2010-10-26 US disclosed
US-20090131448-A1 2-(Piperidin-4-yl)-4,5-dihydro-2h-pyridazin-3-one derivatives as pde4 inhibitors NYCOMED GMBH (DE) 2009-05-21 US disclosed
US-7494990-B2 2-(piperidin-4-yl)-4,5-dihydro-2H-pyridazin-3-one derivatives as PDE4 inhibitors NYCOMED GMBH (DE) 2009-02-24 US disclosed
EP-1716133-B1 2-(PIPERIDIN-4-YL)-4,5-DIHYDRO-2H-PYRIDAZIN-3-ONE DERIVATIVES AS PDE4 INHIBITORS NYCOMED GMBH (DE) 2008-03-26 EP disclosed
US-20070179146-A1 2-(Piperidin-4-yl)-4,5-dihydro-2h-pyridazin-3-one derivatives as pde4 inhibitors ATLANTA PHARMA AG (DE) 2007-08-02 US 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-20090131448-A1 2-(Piperidin-4-yl)-4,5-dihydro-2h-pyridazin-3-one derivatives as pde4 inhibitors PDE4A, PDE4B, PDE4D PDE4B 2/4885PDE4D 3/4885PDE4A 1/4885
US-20070179146-A1 2-(Piperidin-4-yl)-4,5-dihydro-2h-pyridazin-3-one derivatives as pde4 inhibitors PDE4A, PDE4B, PDE4D PDE4B 2/4885PDE4D 3/4885PDE4A 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.