SCHEMBL3451607

SCHEMBL3451607

COc1ccc(C2=NN(C3CCN(S(=O)(=O)c4cccc(C)c4)CC3)C(=O)C(C)(C)C2)cc1OC

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.76
PDE4A P27815 1/20 0.76
PDE4C Q08493 1/20 0.76
PDE4D Q08499 1/20 0.76
TSHR P16473 3/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 3/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
GRM5 P41594 1/20 0.39

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
SCHEMBL3450814 0.91 PDE4B (0.77) PDE4BPDE4APDE4CPDE4DTSHR
SCHEMBL3450802 0.89 PDE4B (0.69) PDE4BPDE4APDE4CPDE4DTSHR
SCHEMBL4670367 0.87 PDE4B (0.73) PDE4BPDE4APDE4CPDE4DTSHR
SCHEMBL3451767 0.86 PDE4B (1.00) PDE4BPDE4APDE4CPDE4DTSHR
SCHEMBL2324878 0.86 PDE4B (0.56) PDE4BPDE4APDE4CPDE4D
SCHEMBL4672854 0.85 PDE4B (0.84) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL2328743 0.84 PDE4B (0.61) PDE4BPDE4APDE4CPDE4DTSHR
SCHEMBL3452374 0.84 PDE4B (0.70) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL3453010 0.83 PDE4B (0.73) PDE4BPDE4APDE4CPDE4D
SCHEMBL2329490 0.83 PDE4B (0.62) PDE4BPDE4APDE4CPDE4DTSHR

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 2/4885PDE4A 1/4885PDE4C 4/4885
US-20070179146-A1 2-(Piperidin-4-yl)-4,5-dihydro-2h-pyridazin-3-one derivatives as pde4 inhibitors PDE4A, PDE4B, PDE4D PDE4B 2/4885PDE4A 1/4885PDE4C 4/4885

“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.