SCHEMBL12864221

SCHEMBL12864221

CC(=O)C1CCCN1CCOC(=O)c1cc2occc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ DAO P14920 2/20 0.41
▸ HTT P42858 1/20 0.36
▸ SIGMAR1 Q99720 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ LTA4H P09960 2/20 0.34
▸ SLC6A9 P48067 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ AKR1C3 P42330 1/20 0.32
▸ SCN1A P35498 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
SCHEMBL12864222 0.82 DAO (0.41) ALDH1A1DAOHTTGAAKDM4E
SCHEMBL12864199 0.79 KDM4E (0.48) ALDH1A1DAOSIGMAR1KDM4ETSHR
SCHEMBL12864145 0.77 CHRNB2 (0.53) DAO
SCHEMBL1171173 0.76 DAO (0.63) ALDH1A1MAPTDAOHTTGAA
SCHEMBL1171120 0.76 ATM (0.51) ALDH1A1DAOGAAKDM4EKMT2A
SCHEMBL1171518 0.75 DAO (0.41) ALDH1A1DAOHTTKDM4ENPC1
SCHEMBL12903425 0.75 DAO (0.44) ALDH1A1DAOHTTPOLBMEN1
SCHEMBL1170986 0.74 DAO (0.56) ALDH1A1MAPTDAOHTTGAA
SCHEMBL12864200 0.74 DAO (0.50) ALDH1A1MAPTDAOHTTGAA
SCHEMBL1170929 0.73 DAO (0.58) ALDH1A1MAPTDAOHTTGAA

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 1 patent. 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

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-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 ALDH1A1 350/4885MAPT 2275/4885DAO 2/4885

“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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