SCHEMBL6656053

SCHEMBL6656053

CCC1OC(=O)N(Cc2ccc(NC(=O)c3cnco3)cc2)N=C1c1ccc(OC(F)F)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 15/20 0.39
PDE4A P27815 8/20 0.39
PDE4B Q07343 8/20 0.39
PDE4C Q08493 8/20 0.39
NPC1 O15118 2/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CIT O14578 1/20 0.35
GAK O14976 1/20 0.35
PRKX P51817 1/20 0.35

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
SCHEMBL6657199 0.97 PDE4D (0.39) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL6657966 0.93 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL6842577 0.91 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL6654565 0.90 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL6657381 0.90 TSHR (0.47) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL6662203 0.90 PDE4D (0.39) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL6686926 0.89 PDE4D (0.39) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL6659862 0.89 PDE4D (0.39) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL6684575 0.89 SMN1; SMN2 (0.44) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL6660449 0.89 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CNPC1

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.