SCHEMBL12864231

SCHEMBL12864231

CN1CCN(CCC(=O)OCCOC(=O)c2cc3occc3[nH]2)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 2/20 0.42
▸ SIGMAR1 Q99720 3/20 0.41
▸ HRH3 Q9Y5N1 3/20 0.40
▸ DRD3 P35462 3/20 0.38
▸ TERT O14746 1/20 0.36
▸ DRD2 P14416 1/20 0.36

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
SCHEMBL1171060 0.94 SIGMAR1 (0.44) DAOSIGMAR1HRH3DRD3
SCHEMBL1171073 0.91 DAO (0.43) DAOSIGMAR1HRH3DRD3
SCHEMBL12864229 0.91 DAO (0.43) DAOSIGMAR1HRH3
SCHEMBL12903529 0.90 ALDH1A1 (0.46) DAOSIGMAR1HRH3
SCHEMBL13319892 0.89 DAO (0.40) DAOHRH3TERT
SCHEMBL1170846 0.84 ALDH1A1 (0.44) DAOSIGMAR1HRH3
SCHEMBL1232805 0.82 DAO (0.50) DAOHRH3
SCHEMBL1171173 0.80 DAO (0.63) DAOHRH3
SCHEMBL12864199 0.80 KDM4E (0.48) DAOSIGMAR1HRH3
SCHEMBL1233498 0.80 DAO (0.52) DAOHRH3

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 4 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
WO-2011017634-A2 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACORE INC. (US) 2011-02-10 — — WO 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 (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 DAO 2/4885SIGMAR1 615/4885HRH3 1012/4885

“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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