SCHEMBL6842079

SCHEMBL6842079

CCC1CC(=O)N(CCc2ccc(N)cc2)N=C1c1ccc(OC)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.52
PDE4D Q08499 14/20 0.52
PDE4A P27815 12/20 0.52
PDE4C Q08493 12/20 0.52
CYP19A1 P11511 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
MAPK1 P28482 1/20 0.42

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
SCHEMBL6654160 0.90 PDE4D (0.52) PDE4BPDE4DPDE4APDE4C
SCHEMBL6656038 0.87 PDE4B (0.48) PDE4BPDE4DPDE4APDE4C
SCHEMBL6934566 0.87 PDE4B (0.49) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL6661499 0.85 PDE4B (0.48) PDE4BPDE4DPDE4APDE4C
SCHEMBL6656778 0.85 PDE4B (0.48) PDE4BPDE4DPDE4APDE4C
SCHEMBL6844112 0.85 PDE4B (0.48) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL6660184 0.84 PDE4D (0.48) PDE4BPDE4DPDE4APDE4C
SCHEMBL6655387 0.84 PDE4D (0.48) PDE4BPDE4DPDE4APDE4C
SCHEMBL6657206 0.84 PDE4A (0.49) PDE4BPDE4DPDE4APDE4C
SCHEMBL6660094 0.84 PDE4B (0.47) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235845-A1 Use of phosphodiesterase iv inhibitors MERCK PATENT GESSELSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2004-11-25 US disclosed
US-6531473-B2 Phosphodiesterase inhibitor; antiinflammatory agents MERCK PATENT GMBH (DE) 2003-03-11 US disclosed
EP-0763534-B1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GMBH (DE) 2003-02-26 EP 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
US-5859008-A Arylalkyl diazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-01-12 US disclosed
EP-0763534-A1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GmbH (DE) 1997-03-19 EP 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 (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-20040235845-A1 Use of phosphodiesterase iv inhibitors PDE4A, PDE3A, PDE3B PDE4B 4/4885PDE4D 12/4885PDE4A 1/4885
US-20020111356-A1 Arylalkylpyridazinones PDE4A, PDE5A, PDE2A PDE4B 8/4885PDE4D 10/4885PDE4A 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.