SCHEMBL1005032

SCHEMBL1005032

COC(=O)c1cc2c([nH]1)CCC2Cc1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.40
SLC6A2 P23975 4/20 0.40
ALPL P05186 1/20 0.39
SLC6A4 P31645 2/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
MCHR1 Q99705 2/20 0.37
XDH P47989 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL1004824 0.88 ALDH1A1 (0.41) XDHMEN1KMT2A
SCHEMBL1007305 0.86 HSD17B10 (0.38) SLC6A3SLC6A2SLC6A4MCHR1MEN1
SCHEMBL1004866 0.86 CYP26A1 (0.42) SLC6A3SLC6A2SLC6A4XDHMEN1
SCHEMBL1004611 0.85 MMP1 (0.45) POLBMEN1KMT2A
SCHEMBL1004248 0.84 NPC1 (0.35) HCRTR1HCRTR2MEN1KMT2A
SCHEMBL1003747 0.84 CA1 (0.44) MEN1KMT2A
SCHEMBL12844881 0.84 MAPT (0.38) ALPLXDHPOLBMEN1KMT2A
SCHEMBL1004070 0.84 MMP2 (0.42) SLC6A3HCRTR1HCRTR2
SCHEMBL1003927 0.83 PTGS1 (0.35) MEN1KMT2A
SCHEMBL1004434 0.83 TSHR (0.40) SLC6A3SLC6A2SLC6A4HCRTR1HCRTR2

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 SLC6A3 224/4885SLC6A2 617/4885ALPL 835/4885

“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.