SCHEMBL5202630

SCHEMBL5202630

COc1cc2nc(-c3ccccc3)c(C)c(C(=O)O)c2cc1OC

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.66
TSHR P16473 1/20 0.66
DHODH Q02127 16/20 0.64
WHR1 P49842 1/20 0.56
PTGFR P43088 1/20 0.54
DHFR P00374 1/20 0.53
ALKBH5 Q6P6C2 1/20 0.53

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
SCHEMBL2465008 0.90 DHODH (0.63) PDE10ATSHRDHODHDHFRALKBH5
SCHEMBL2462205 0.90 PDE10A (0.60) PDE10ATSHRDHODHPTGFRDHFR
SCHEMBL2807617 0.86 PDE10A (0.77) PDE10ATSHRDHODHDHFRALKBH5
SCHEMBL18075791 0.85 PDE10A (0.75) PDE10ATSHRDHODHPTGFRDHFR
SCHEMBL5203107 0.84 WHR1 (0.52) PDE10ATSHRDHODHWHR1PTGFR
SCHEMBL5945399 0.83 PDE10A (0.68) PDE10ATSHRDHODH
SCHEMBL5425219 0.81 DHODH (0.72) PDE10ATSHRDHODHDHFRALKBH5
SCHEMBL17593890 0.81 DHODH (0.72) PDE10ATSHRDHODHPTGFR
SCHEMBL2491656 0.81 PTGFR (0.49) PDE10ATSHRDHODHPTGFR
SCHEMBL17594005 0.81 DHODH (0.94) PDE10ATSHRDHODHPTGFRDHFR

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
EP-1377555-B1 A DIOXINO[2,3-G]QUINOLINE-9-CARBOXYLIC ACID DERIVATIVE AS NK3 RECEPTOR ANTAGONIST GLAXOSMITHKLINE SPA (IT) 2007-01-24 EP disclosed
US-20050182093-A1 Novel compounds GLAXOSMITHKLINE S.P.A. 2005-08-18 US disclosed
US-20040152730-A1 Novel compounds SMITHKLINE BEECHAM S.P.A. (IT) 2004-08-05 US disclosed
EP-1377555-A1 NOVEL COMPOUNDS GlaxoSmithKline S.p.A. (IT) 2004-01-07 EP disclosed
WO-2002083645-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE S.P.A. (IT) 2002-10-24 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 (2 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-20050182093-A1 Novel compounds SLC10A1, AVPR2, REN PDE10A 165/4885TSHR 4222/4885DHODH 902/4885
US-20040152730-A1 Novel compounds SLC10A1, AVPR2, REN PDE10A 165/4885TSHR 4222/4885DHODH 902/4885

“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.