SCHEMBL6657789

SCHEMBL6657789

CCC1CC(=O)N(Cc2cccc(NC(=O)c3ncccn3)c2)N=C1c1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.51
PDE4B Q07343 12/20 0.51
PDE4C Q08493 12/20 0.51
PDE4D Q08499 12/20 0.51
PDE5A O76074 1/20 0.44
PDE1A P54750 1/20 0.44
PDE1B Q01064 1/20 0.44
PDE1C Q14123 1/20 0.44
ACKR3 P25106 2/20 0.42
POLB P06746 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
SCHEMBL6657023 0.93 PDE4D (0.53) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL6660427 0.93 PDE4D (0.52) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL6658421 0.93 PDE4D (0.46) PDE4APDE4BPDE4CPDE4DACKR3
SCHEMBL6681266 0.91 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL6660216 0.90 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL6656361 0.90 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL6663386 0.90 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL6658598 0.90 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL6657158 0.90 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL6675692 0.90 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE5A

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
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
EP-0763534-B1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GMBH (DE) 2003-02-26 EP 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

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-20040235845-A1 Use of phosphodiesterase iv inhibitors PDE4A, PDE3A, PDE3B PDE4A 1/4885PDE4B 4/4885PDE4C 5/4885

“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.