SCHEMBL6655760

SCHEMBL6655760

CCC1OC(=O)N(C(NC(=O)c2cnccn2)c2ccccc2)N=C1c1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.43
PDE4D Q08499 8/20 0.43
PDE4B Q07343 6/20 0.43
PDE4C Q08493 6/20 0.43
SLC5A7 Q9GZV3 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL6653518 0.92 KMT2A (0.41) PDE4APDE4DPDE4BPDE4CCYP1A2
SCHEMBL6656314 0.90 PDE4A (0.43) PDE4APDE4DPDE4BPDE4CCYP1A2
SCHEMBL6658003 0.89 PDE4A (0.43) PDE4APDE4DPDE4BPDE4C
SCHEMBL6661219 0.87 PDE4A (0.43) PDE4APDE4DPDE4BPDE4CSLC5A7
SCHEMBL6658594 0.87 PDE4A (0.43) PDE4APDE4DPDE4BPDE4CSLC5A7
SCHEMBL6655429 0.84 TLR7 (0.42) PDE4APDE4DPDE4BPDE4CALDH1A1
SCHEMBL6655758 0.83 PDE4D (0.48) PDE4APDE4DPDE4BPDE4C
SCHEMBL6653621 0.82 AAK1 (0.42) PDE4APDE4DPDE4BPDE4CCYP1A2
SCHEMBL6655613 0.81 PDE4A (0.41) PDE4APDE4DPDE4BPDE4C
SCHEMBL6654830 0.81 PDE4A (0.40) PDE4APDE4DPDE4BPDE4CCYP3A4

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 1/4885PDE4D 12/4885PDE4B 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.