SCHEMBL1002764

SCHEMBL1002764

CCCC1CCc2[nH]c(C(=O)OC)cc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
NQO2 P16083 14/20 0.37
MTNR1A P48039 14/20 0.37
MTNR1B P49286 14/20 0.37
BAZ2B Q9UIF8 1/20 0.35
BAZ2A Q9UIF9 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
HTR5A P47898 1/20 0.34

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
SCHEMBL1003471 0.85 MMP2 (0.44) MTNR1BMEN1KMT2ADRD2
SCHEMBL1003681 0.85 HCAR2 (0.42) NQO2MTNR1AMTNR1BHCAR2
SCHEMBL1002588 0.84 XDH (0.39) CYP1A2NQO2MTNR1AMTNR1BBAZ2B
SCHEMBL1002763 0.83 MMP2 (0.43) MTNR1BMEN1KMT2ADRD2
SCHEMBL1005555 0.83 MTNR1A (0.42) CYP1A2NQO2MTNR1AMTNR1B
SCHEMBL1005096 0.82 CYP1A2 (0.36) CYP1A2NQO2MTNR1AMTNR1BBAZ2B
SCHEMBL1003669 0.81 ALDH1A1 (0.36) CYP1A2MEN1KMT2A
SCHEMBL1004824 0.80 ALDH1A1 (0.41) MEN1KMT2ADRD2
SCHEMBL1002831 0.80 XDH (0.38) CYP1A2MEN1KMT2A
SCHEMBL12844881 0.79 MAPT (0.38) CYP1A2MEN1KMT2A

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 9 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

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 CYP1A2 2041/4885NQO2 52/4885MTNR1A 1639/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE CYP1A2 2041/4885NQO2 52/4885MTNR1A 1639/4885

“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.