SCHEMBL12864137

SCHEMBL12864137

CN(C)CCCOC(=O)c1cc2occc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ GAA P10253 3/20 0.45
▸ ALDH1A1 P00352 4/20 0.42
▸ PDGFRB P09619 1/20 0.41
▸ PDGFRA P16234 1/20 0.41
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ GPR84 Q9NQS5 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ PHLPP2 Q6ZVD8 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP12 P39900 1/20 0.35

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
SCHEMBL1171714 0.92 DAO (0.52) DAOHSD17B10MAPK1GAAALDH1A1
SCHEMBL1171059 0.86 DAO (0.54) DAOHSD17B10MAPK1GAAALDH1A1
SCHEMBL1171173 0.85 DAO (0.63) DAOHSD17B10GAAALDH1A1POLB
SCHEMBL1170889 0.85 GPR84 (0.53) DAOMAPK1ALDH1A1MAPTGPR84
SCHEMBL12864156 0.84 GPR84 (0.55) DAOHSD17B10MAPK1ALDH1A1POLB
SCHEMBL1171408 0.84 GPR84 (0.55) DAOHSD17B10MAPK1ALDH1A1POLB
SCHEMBL1170986 0.83 DAO (0.56) DAOHSD17B10GAAALDH1A1POLB
SCHEMBL1171135 0.82 DAO (0.50) DAOHSD17B10GAAALDH1A1POLB
SCHEMBL12903809 0.82 DAO (0.50) DAOHSD17B10GAAALDH1A1POLB
SCHEMBL1171798 0.82 DAO (0.50) DAOHSD17B10TSHRL3MBTL1KDM4E

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-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-02-10 — — US disclosed
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-02-10 — — US disclosed
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-05-13 — — US disclosed
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-05-13 — — US disclosed
WO-2010017418-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-11 — — 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-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 DAO 2/4885HSD17B10 1406/4885MAPK1 1969/4885
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 DAO 2/4885HSD17B10 1406/4885MAPK1 1969/4885

“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.

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