SCHEMBL4718645

SCHEMBL4718645

COc1ccc(C2CN(c3ccnc4cc(OC)c(OC)cc34)CCO2)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.63
NCF1 P14598 2/20 0.53
CYP2D6 P10635 1/20 0.49
GSK3B P49841 1/20 0.49
NUDT1 P36639 1/20 0.47
EHMT2 Q96KQ7 4/20 0.46
EHMT1 Q9H9B1 4/20 0.46
PDGFRB P09619 1/20 0.44
GAA P10253 1/20 0.43
FGFR2 P21802 1/20 0.42

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
SCHEMBL1639261 0.85 PDE10A (0.85) PDE10A
SCHEMBL5651018 0.84 PDE10A (0.54) PDE10ACYP2D6GSK3BPDGFRB
SCHEMBL14367677 0.84 PDE10A (0.54) PDE10ACYP2D6GSK3BPDGFRB
SCHEMBL4774841 0.80 PDE10A (0.49) PDE10ACYP2D6GSK3BPDGFRB
SCHEMBL4978026 0.78 PDE10A (0.53) PDE10ACYP2D6GSK3BPDGFRB
SCHEMBL4971347 0.78 PDE10A (0.49) PDE10AEHMT2PDGFRB
SCHEMBL4971821 0.77 PDE10A (0.46) PDE10ACYP2D6GSK3BNUDT1PDGFRB
SCHEMBL4173257 0.77 PDE10A (0.50) PDE10ACYP2D6GSK3BPDGFRB
SCHEMBL1638492 0.77 PDE10A (1.00) PDE10APDGFRB
SCHEMBL1636932 0.76 PDE10A (1.00) PDE10APDGFRB

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
EP-1996574-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-12-03 EP disclosed
US-20070299067-A1 Quinoline and isoquinoline derivatives as phosphodiesterase 10 inhibitors AMGEN INC. 2007-12-27 US disclosed
US-20070299067-A1 Quinoline and isoquinoline derivatives as phosphodiesterase 10 inhibitors AMGEN INC. 2007-12-27 US disclosed
US-20070299067-A1 Quinoline and isoquinoline derivatives as phosphodiesterase 10 inhibitors AMGEN INC. 2007-12-27 US disclosed
WO-2007103554-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-09-13 WO disclosed
WO-2007103554-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-09-13 WO 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-20070299067-A1 Quinoline and isoquinoline derivatives as phosphodiesterase 10 inhibitors PDE12, PDE10A, PDE4A PDE10A 2/4885NCF1 2811/4885CYP2D6 440/4885

“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.