SCHEMBL6934557

SCHEMBL6934557

CCC1CC(=O)NN=C1c1ccc(OC(F)(F)F)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 17/20 0.62
PDE3B Q13370 3/20 0.58
PDE3A Q14432 3/20 0.58
PDE4A P27815 2/20 0.58
PDE4B Q07343 2/20 0.58
PDE4C Q08493 2/20 0.58
PDE4D Q08499 2/20 0.58
PDE2A O00408 1/20 0.46

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
SCHEMBL6937675 0.96 GPR119 (0.62) GPR119PDE3BPDE3APDE4APDE4B
SCHEMBL6934156 0.90 GPR119 (0.74) GPR119PDE3BPDE3APDE4APDE4B
SCHEMBL6933732 0.87 GPR119 (0.64) GPR119PDE3BPDE3APDE4APDE4B
SCHEMBL6935080 0.85 GPR119 (0.66) GPR119PDE3BPDE3APDE4APDE4B
SCHEMBL6932235 0.85 GPR119 (0.62) GPR119PDE3BPDE3APDE4APDE4B
SCHEMBL6937679 0.83 GPR119 (0.63) GPR119PDE3BPDE3APDE4APDE4B
SCHEMBL6934776 0.83 GPR119 (0.66) GPR119PDE3BPDE3APDE4APDE4B
SCHEMBL6936782 0.83 GPR119 (0.62) GPR119PDE3BPDE3APDE4APDE4B
SCHEMBL6934765 0.82 GPR119 (0.61) GPR119PDE3BPDE3APDE4APDE4B
Domipizone SCHEMBL1814940 0.79 PDE4B (0.69) GPR119PDE3BPDE3APDE4APDE4B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6531473-B2 Phosphodiesterase inhibitor; antiinflammatory agents MERCK PATENT GMBH (DE) 2003-03-11 US disclosed
EP-0738715-B1 Arylalkyl-pyridazinones MERCK PATENT GMBH (DE) 2003-01-29 EP disclosed
US-20020111356-A1 Arylalkylpyridazinones MERCK KGAA (DE) 2002-08-15 US disclosed
US-6399611-B1 2-(4-ETHOXYCARBONYLAMINOBENZYL)-6-(3,4 -DIMETHOXYPHENYL)-2,3,4, 5-TETRAHYDROPYRIDAZIN-3-ONE OR ALTERNATELY BENZYL SUBSTITUTED COMPOUNDS; PHOSPHODIESTERASE IV AND TUMOUR NECROSIS FACTOR INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-06-04 US disclosed
EP-0738715-A2 Arylalkyl-pyridazinones MERCK PATENT GmbH (DE) 1996-10-23 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-20020111356-A1 Arylalkylpyridazinones PDE4A, PDE5A, PDE2A GPR119 2343/4885PDE3B 4/4885PDE3A 6/4885

“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.