SCHEMBL6661254

SCHEMBL6661254

CCC1CC(=O)N(Cc2ccc(C(=O)NC3CCCC3)cc2)N=C1c1ccc(OC)c(OC(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.51
PDE4A P27815 14/20 0.51
PDE4C Q08493 14/20 0.51
PDE4D Q08499 14/20 0.51
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
MCHR1 Q99705 1/20 0.40

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
SCHEMBL6658217 0.97 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL144550 0.93 PDE4A (0.58) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL6661917 0.90 PDE4A (0.51) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL144736 0.90 PDE4A (0.53) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL6658414 0.89 PDE4A (0.51) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL143537 0.89 PDE4A (0.53) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL6659294 0.89 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL6658066 0.88 PDE4A (0.51) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL7798599 0.87 PDE4D (0.50) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL6654207 0.85 PDE4A (0.51) PDE4BPDE4APDE4CPDE4DHPGD

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 8 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
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 (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 4/4885PDE4A 1/4885PDE4C 5/4885
US-20020111356-A1 Arylalkylpyridazinones PDE4A, PDE5A, PDE2A PDE4B 8/4885PDE4A 1/4885PDE4C 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.