SCHEMBL1639261

SCHEMBL1639261

COc1ccc(C2CN(c3ncnc4cc(OC)c(OC)cc34)CCO2)cc1

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 19/20 0.85
PDE3A Q14432 8/20 0.57
PDE3B Q13370 7/20 0.57

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
SCHEMBL1638492 0.92 PDE10A (1.00) PDE10APDE3APDE3B
SCHEMBL1636932 0.91 PDE10A (1.00) PDE10APDE3APDE3B
SCHEMBL1638127 0.91 PDE10A (1.00) PDE10APDE3A
SCHEMBL1638948 0.91 PDE10A (0.83) PDE10APDE3APDE3B
SCHEMBL1637122 0.91 PDE10A (0.76) PDE10APDE3APDE3B
SCHEMBL1636946 0.88 PDE10A (1.00) PDE10APDE3APDE3B
SCHEMBL28776954 0.88 PDE10A (0.79) PDE10APDE3APDE3B
SCHEMBL8219672 0.86 PDE10A (0.69) PDE10APDE3APDE3B
SCHEMBL1638956 0.85 PDE10A (0.83) PDE10APDE3APDE3B
SCHEMBL4718645 0.85 PDE10A (0.63) PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098286-A1 (3-ARYL-PIPERAZIN-1-YL), (2-ARYL-MORPHOLIN-4-YL) AND (2-ARYL-THIOMORPHOLIN-4-YL) DERIVATIVES OF 6,7-DIALKOXY-QUINAZOLINE, 6,7-DIALKOXYPHTALAZINE AND 6,7-DIALKOXYISOQUINOLINE H. LUNDBECK A/S (DK) 2011-04-28 US claimed
EP-2057153-A1 (3-ARYL-PIPERAZIN-1-YL), (2-ARYL-MORPHOLIN-4-YL) AND (2-ARYL- THIOMORPHOLIN-4-YL) DERIVATIVES OF 6,7-DIALKOXYQUINAZOLINE, 6,7- DIALKOXYPHTALAZINE AND 6,7-DIALKOXYISOQUINOLINE H.Lundbeck A/S (DK) 2009-05-13 EP claimed
WO-2008006372-A1 (3-ARYL-PIPERAZIN-1-YL), (2-ARYL-MORPHOLIN-4-YL) AND (2-ARYL- THIOMORPHOLIN-4-YL) DERIVATIVES OF 6,7-DIALKOXYQUINAZOLINE, 6,7- DIALKOXYPHTALAZINE AND 6,7-DIALKOXYISOQUINOLINE H. LUNDBECK A/S (DK) 2008-01-17 WO claimed

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-20110098286-A1 (3-ARYL-PIPERAZIN-1-YL), (2-ARYL-MORPHOLIN-4-YL) AND (2-ARYL-THIOMORPHOLIN-4-YL) DERIVATIVES OF 6,7-DIALKOXY-QUINAZOLINE, 6,7-DIALKOXYPHTALAZINE AND 6,7-DIALKOXYISOQUINOLINE PDE5A, PDE2A, PDE3A PDE10A 7/4885PDE3A 3/4885PDE3B 9/4885

“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.