SCHEMBL3452263

SCHEMBL3452263

CCC1(CC)CC(c2ccc(OC)c(OC)c2)=NN(C2CCN(C(=O)c3ccccc3OC)CC2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.53
PDE4A P27815 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 2/20 0.44
MAPK14 Q16539 1/20 0.44

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
SCHEMBL3451264 0.91 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL3453330 0.89 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DCYP2C9
SCHEMBL4669064 0.84 PDE4B (0.51) PDE4BPDE4APDE4CPDE4D
Hydrochloric Acid SCHEMBL3451926 0.83 PDE4B (0.51) PDE4BPDE4APDE4CPDE4D
SCHEMBL14250130 0.82 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL2324279 0.81 PDE4B (0.69) PDE4BCYP2C9CYP2C19MEN1CYP3A4
SCHEMBL14249063 0.81 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DMEN1
Hydrochloric Acid SCHEMBL3451257 0.79 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL2324260 0.77 PDE4B (0.67) PDE4BPDE4APDE4CPDE4D
SCHEMBL2324447 0.76 PDE4B (0.64) PDE4BCYP2C9CYP2C19MEN1CYP3A4

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.