SCHEMBL1171798

SCHEMBL1171798

CCN(CC)CCOC(=O)c1cc2occc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 2/20 0.50
▸ TSHR P16473 3/20 0.45
▸ MAOA P21397 3/20 0.45
▸ HRH3 Q9Y5N1 3/20 0.45
▸ CYP2D6 P10635 3/20 0.45
▸ HTR3A P46098 2/20 0.45
▸ LMNA P02545 3/20 0.44
▸ BLM P54132 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ SCN1A P35498 4/20 0.43
▸ SCN2A Q99250 4/20 0.43
▸ SCN3A Q9NY46 4/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43

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 0.87 DAO (0.52) DAOMAOAHRH3LMNASCN1A
SCHEMBL1170986 0.85 DAO (0.56) DAOTSHRHRH3LMNAMEN1
SCHEMBL1171173 0.85 DAO (0.63) DAOHRH3LMNAMEN1KMT2A
SCHEMBL1171059 0.83 DAO (0.54) DAOTSHRCYP2D6LMNAMEN1
SCHEMBL1171015 0.83 DAO (0.59) DAOHRH3LMNAMEN1KMT2A
SCHEMBL12864137 0.82 DAO (0.50) DAOTSHRLMNAMEN1KMT2A
SCHEMBL1233498 0.82 DAO (0.52) DAOHRH3LMNAMEN1KMT2A
SCHEMBL1170889 0.82 GPR84 (0.53) DAOTSHRHRH3LMNAKDM4E
SCHEMBL1170929 0.81 DAO (0.58) DAOHRH3LMNAMEN1KMT2A
SCHEMBL1171408 0.81 GPR84 (0.55) DAOTSHRLMNAKDM4EHSD17B10

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 7 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-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
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 2/4885TSHR 2891/4885MAOA 17/4885
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 DAO 2/4885TSHR 2891/4885MAOA 17/4885

“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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