SCHEMBL1004659

SCHEMBL1004659

N#Cc1cccc(C2CCc3cc(C(=O)O)[nH]c32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.41
DRD3 P35462 3/20 0.41
ABCB1 P08183 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KCNJ8 Q15842 1/20 0.39
NOTUM Q6P988 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
PIN1 Q13526 1/20 0.36
USP30 Q70CQ3 1/20 0.36
XDH P47989 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
MGLL Q99685 3/20 0.35
GRIN2B Q13224 1/20 0.35
CACNA1F O60840 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNA1S Q13698 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
SCHEMBL2074454 0.89 CACNA1F (0.43) DRD2DRD3ABCB1ABCG2HRH3
SCHEMBL1007432 0.82 DRD2 (0.40) DRD2DRD3ABCB1ABCG2HRH3
SCHEMBL2076913 0.81 MEN1 (0.42) HRH3HCAR2KMT2A
SCHEMBL1005339 0.81 LMNA (0.42) ABCB1ABCG2HCAR2KMT2A
SCHEMBL2074417 0.81 HCAR2 (0.39) HCAR2PIN1KMT2A
SCHEMBL1004426 0.76 HCAR2 (0.43) HCAR2PIN1GRIN2BKMT2A
SCHEMBL1004534 0.74 ABCB1 (0.36) ABCB1ABCG2HCAR2
SCHEMBL2077036 0.74 PIN1 (0.41) ABCG2HCAR2PIN1SIRT2KMT2A
SCHEMBL1003858 0.74 F7 (0.41) NOTUMHCAR2GRIN2BSIRT2KMT2A
SCHEMBL1003968 0.70 TSHR (0.44) KMT2A

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-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
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 DRD2 155/4885DRD3 321/4885ABCB1 4103/4885

“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.