SCHEMBL6658592

SCHEMBL6658592

CCC1CC(=O)N(Cc2ccccc2NC(=O)c2cnccn2)N=C1c1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 14/20 0.49
PDE4A P27815 12/20 0.49
PDE4B Q07343 12/20 0.49
PDE4C Q08493 12/20 0.49
CCR5 P51681 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE5A O76074 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
SCHEMBL6658111 0.93 KMT2A (0.44) PDE4DPDE4APDE4BPDE4CCCR5
SCHEMBL6662113 0.90 PDE4A (0.49) PDE4DPDE4APDE4BPDE4CCCR5
SCHEMBL6661216 0.88 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CCCR5
SCHEMBL6658598 0.88 PDE4A (0.50) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL6655758 0.88 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CCCR5
SCHEMBL6660360 0.85 PDE4A (0.46) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL6660414 0.84 PDE4D (0.53) PDE4DPDE4APDE4BPDE4C
SCHEMBL6658594 0.83 PDE4A (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL6657023 0.83 PDE4D (0.53) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL6365239 0.82 AAK1 (0.49) PDE4DPDE4APDE4BPDE4CMEN1

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 PDE4D 12/4885PDE4A 1/4885PDE4B 4/4885

“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.