Sugi Predict

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SCHEMBL6663250

SCHEMBL6663250

CCC1CC(=O)N(Cc2cccc(C(=O)NC3CCCC3)c2)N=C1c1ccc(OC)c(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 14/20 0.60
▸ PDE4B Q07343 14/20 0.60
▸ PDE4C Q08493 14/20 0.60
▸ PDE4D Q08499 14/20 0.60
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MCHR1 Q99705 1/20 0.46
▸ ACKR3 P25106 1/20 0.45
▸ TLR8 Q9NR97 1/20 0.45
▸ TLR7 Q9NYK1 1/20 0.45
▸ ROCK2 O75116 1/20 0.44
▸ ROCK1 Q13464 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
SCHEMBL6654913 0.95 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL144550 0.91 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL144736 0.86 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7800705 0.86 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DMCHR1
SCHEMBL143537 0.86 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL6659294 0.86 PDE4B (0.52) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL6661917 0.85 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL6654207 0.85 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL6661254 0.84 PDE4B (0.51) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL6658414 0.84 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DMEN1

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 PDE4A 1/4885PDE4B 4/4885PDE4C 5/4885
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.