SCHEMBL6658003

SCHEMBL6658003

CCC1OC(=O)N(C(NC(=O)c2ccncc2)c2ccccc2)N=C1c1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 0.43
PDE4D Q08499 6/20 0.43
PDE4B Q07343 5/20 0.43
PDE4C Q08493 5/20 0.43
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 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
SCHEMBL6656314 0.92 PDE4A (0.43) PDE4APDE4DPDE4BPDE4C
SCHEMBL6654830 0.92 PDE4A (0.40) PDE4APDE4DPDE4BPDE4C
SCHEMBL6837255 0.89 PDE4D (0.35) PDE4APDE4DPDE4BPDE4C
SCHEMBL6657423 0.89 MAPT (0.38) PDE4APDE4DPDE4BPDE4CS1PR1
SCHEMBL6655760 0.89 PDE4A (0.43) PDE4APDE4DPDE4BPDE4C
SCHEMBL6841607 0.88 MAPT (0.36) PDE4APDE4DPDE4BPDE4C
SCHEMBL6844093 0.88 PDE4A (0.35) PDE4APDE4DPDE4BPDE4C
SCHEMBL6837206 0.88 KMT2A (0.38) PDE4APDE4DPDE4BPDE4C
SCHEMBL6844146 0.88 MPO (0.36) PDE4B
SCHEMBL6842650 0.87 PDE2A (0.35) PDE4APDE4DPDE4BPDE4C

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.