SCHEMBL1007432

SCHEMBL1007432

N#Cc1cccc(C2CCc3[nH]c(C(=O)O)cc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 1/20 0.38
CACNA1F O60840 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36
NOTUM Q6P988 1/20 0.36
PIN1 Q13526 1/20 0.36
USP30 Q70CQ3 1/20 0.35
XDH P47989 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
MGLL Q99685 1/20 0.34
HTR6 P50406 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
SCHEMBL2077109 0.87 CACNA1F (0.45) DRD2DRD3ABCB1ABCG2HRH3
SCHEMBL1004659 0.82 DRD2 (0.41) DRD2DRD3ABCB1ABCG2HRH3
SCHEMBL1005502 0.81 TP53 (0.39) ABCB1ABCG2PDGFRAPRKACAKDR
SCHEMBL1003740 0.81 KDM4E (0.38) HTR6PDGFRAPRKACAKDRCDK8
SCHEMBL2075976 0.81 MEN1 (0.39) HRH3PDGFRAPRKACAKDRCDK8
SCHEMBL1006757 0.78 ROCK2 (0.40) MGLLKCNH2
SCHEMBL1003507 0.76 PDGFRA (0.40) PIN1GRIN2BPDGFRAPRKACAKDR
SCHEMBL1004349 0.75 HCAR2 (0.37) ABCB1ABCG2KDM1AMAOB
SCHEMBL1007331 0.75 PIN1 (0.40) PIN1PDGFRAPRKACAKDRCDK8
SCHEMBL2075617 0.75 F7 (0.40) NOTUMGRIN2BPDGFRAPRKACAKDR

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 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.