SCHEMBL6655077

SCHEMBL6655077

CCC1OC(=O)N(Cc2ccc(NC(=O)c3ccco3)cc2)N=C1c1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.52
PDE4B Q07343 14/20 0.52
PDE4C Q08493 14/20 0.52
PDE4D Q08499 14/20 0.52
TSHR P16473 4/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL6655991 0.94 PDE4D (0.49) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL6654664 0.92 TSHR (0.53) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL6656730 0.90 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL6677347 0.89 PDE4D (0.51) PDE4APDE4BPDE4CPDE4D
SCHEMBL6842029 0.89 SMN1; SMN2 (0.50) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL6683312 0.89 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL6657996 0.89 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL6660899 0.89 TSHR (0.47) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL6662477 0.88 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL6684207 0.88 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DMAPK1

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.