SCHEMBL6657158

SCHEMBL6657158

CCC(=O)Nc1cccc(CN2N=C(c3ccc(OC)c(OC4CCCC4)c3)C(CC)CC2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.53
PDE4B Q07343 15/20 0.53
PDE4C Q08493 15/20 0.53
PDE4D Q08499 15/20 0.53
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
POLB P06746 2/20 0.42
PDE5A O76074 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE1C Q14123 1/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
FGFR4 P22455 1/20 0.42
MET P08581 1/20 0.41

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
SCHEMBL6661813 0.94 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6660216 0.93 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6663386 0.93 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6656361 0.93 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6661666 0.93 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6696576 0.92 PDE4D (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6660663 0.92 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6657003 0.92 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6657001 0.92 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL143929 0.92 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1435958-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GmbH (DE) 2004-07-14 EP disclosed
WO-2003032993-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GMBH (DE) 2003-04-24 WO disclosed
US-6531473-B2 Phosphodiesterase inhibitor; antiinflammatory agents MERCK PATENT GMBH (DE) 2003-03-11 US disclosed
EP-0738715-B1 Arylalkyl-pyridazinones MERCK PATENT GMBH (DE) 2003-01-29 EP disclosed
US-20020111356-A1 Arylalkylpyridazinones MERCK KGAA (DE) 2002-08-15 US disclosed
US-6399611-B1 2-(4-ETHOXYCARBONYLAMINOBENZYL)-6-(3,4 -DIMETHOXYPHENYL)-2,3,4, 5-TETRAHYDROPYRIDAZIN-3-ONE OR ALTERNATELY BENZYL SUBSTITUTED COMPOUNDS; PHOSPHODIESTERASE IV AND TUMOUR NECROSIS FACTOR INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-06-04 US disclosed
EP-0738715-A2 Arylalkyl-pyridazinones MERCK PATENT GmbH (DE) 1996-10-23 EP 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 (1 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-20020111356-A1 Arylalkylpyridazinones PDE4A, PDE5A, PDE2A PDE4A 1/4885PDE4B 8/4885PDE4C 7/4885

“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.