SCHEMBL6797534

SCHEMBL6797534

COC(=O)c1c(N[C@@H]2CCOC2)cc(C)nc1Oc1c(C)cc(Cl)cc1C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 4/20 0.36
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
HSP90B1 P14625 1/20 0.34
TRAP1 Q12931 1/20 0.34
EZH2 Q15910 1/20 0.34
LRRK2 Q5S007 1/20 0.34
GRM5 P41594 5/20 0.33
PDE1C Q14123 3/20 0.33
PDE1A P54750 2/20 0.33
HPGDS O60760 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL5844055 1.00 PDE1B (0.36) PDE1BHSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL6799775 0.91 LRRK2 (0.38) PDE1BEZH2LRRK2PDE1CPDE1A
SCHEMBL5845474 0.90 HPGDS (0.38) PDE1BHSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL6792201 0.90 HSP90AA1 (0.41) PDE1BHSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL6799139 0.90 LRRK2 (0.36) PDE1BHSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL6800033 0.90 GRM5 (0.38) PDE1BHSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL6799142 0.90 LRRK2 (0.36) PDE1BHSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL6795536 0.87 PDE1B (0.37) PDE1BPDE1CPDE1AHPGDS
SCHEMBL6797091 0.87 MCHR1 (0.35) PDE1BHSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL6797756 0.86 HPGDS (0.35) PDE1BHSP90AA1HSP90AB1HSP90B1TRAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6833378-B2 Pyridines, pyrimidines, purinones, pyrrolopyrimidinones and pyrrolopyridinones; useful in the treatment disorders including CNS and stress-related disorders. PFIZER INC 2004-12-21 US disclosed
US-20020016328-A1 Corticotropin releasing factor antagonists PFIZER INC. 2002-02-07 US 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-20020016328-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 PDE1B 2331/4885HSP90AA1 2801/4885HSP90AB1 2668/4885

“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.