SCHEMBL1004646

SCHEMBL1004646

CCCC1CCc2cc(C(=O)OC)[nH]c21

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.42
MTNR1B P49286 14/20 0.40
MTNR1A P48039 13/20 0.40
NQO2 P16083 11/20 0.40
CYP1A2 P05177 1/20 0.38
BAZ2B Q9UIF8 1/20 0.35
BAZ2A Q9UIF9 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
SCHEMBL2077310 0.86 HCAR2 (0.49) HCAR2MTNR1BMTNR1ANQO2
SCHEMBL1002764 0.78 CYP1A2 (0.38) HCAR2MTNR1BMTNR1ANQO2CYP1A2
SCHEMBL1004958 0.78 SLC18A2 (0.39) MTNR1BMTNR1ANQO2
SCHEMBL1003729 0.77 ATM (0.46)
SCHEMBL12951926 0.77 KMT2A (0.33) MTNR1BMTNR1ANQO2
SCHEMBL1003759 0.76 ESR1 (0.51)
SCHEMBL1004115 0.75 MMP2 (0.41)
SCHEMBL1003764 0.75 MMP1 (0.45) MTNR1A
SCHEMBL1002876 0.75 BCHE (0.42)
SCHEMBL2076153 0.75 POLB (0.44)

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 8 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

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-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE HCAR2 2765/4885MTNR1B 2016/4885MTNR1A 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.