SCHEMBL1004485

SCHEMBL1004485

O=C(O)c1cc2c([nH]1)CCC2CCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.40
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
HIF1A Q16665 1/20 0.36
KDR P35968 1/20 0.36
HCAR3 P49019 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C19 P33261 1/20 0.36
MTNR1B P49286 2/20 0.35
HPGD P15428 1/20 0.35
SRD5A2 P31213 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL12777457 1.00 DAO (0.40) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1004844 0.92 DAO (0.38) DAOKDR
SCHEMBL1003471 0.87 MMP2 (0.44) ALDH1A1MTNR1B
SCHEMBL1003853 0.86 DDB1 (0.44) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12777445 0.86 DDB1 (0.44) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1006644 0.86 NQO2 (0.40) KDRALDH1A1MTNR1B
SCHEMBL1003681 0.83 HCAR2 (0.42) KDRALDH1A1MTNR1B
SCHEMBL2077165 0.80 MMP1 (0.41) DAOSRD5A2
SCHEMBL1005498 0.80 DAO (0.40) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12777447 0.80 DAO (0.40) DAOGRIN2DGRIN3BGRIN1GRIN2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 WO disclosed
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 WO disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US disclosed
US-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2009-04-16 US disclosed
US-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2009-04-16 US disclosed
WO-2008089453-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2008-07-24 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-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE DAO 2/4885GRIN2D 139/4885GRIN3B 172/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE DAO 2/4885GRIN2D 139/4885GRIN3B 172/4885

“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.