SCHEMBL1003720

SCHEMBL1003720

COC(=O)c1cc2c([nH]1)CCC2Cc1cc(F)cc(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.33
METAP2 P50579 2/20 0.33
MEN1 O00255 3/20 0.33
IDE P14735 1/20 0.33
CCR3 P51677 1/20 0.33
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
SCN9A Q15858 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
HCRTR1 O43613 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.30
SLC6A9 P48067 1/20 0.30
P2RX7 Q99572 1/20 0.30
POLB P06746 1/20 0.30
MMP1 P03956 1/20 0.30

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
SCHEMBL2075867 0.87 FAAH (0.36) KMT2AMETAP2MEN1CCR3FAAH
SCHEMBL1004655 0.84 NPC1 (0.37) KMT2AMEN1CYP1A2POLBMMP1
SCHEMBL1004177 0.84 MAPT (0.38) MMP1MMP2MMP9MMP12ALDH1A1
SCHEMBL1002765 0.84 MEN1 (0.36) KMT2AMEN1HDAC6P2RX7ALDH1A1
SCHEMBL2074424 0.84 MMP1 (0.41) KMT2AMEN1IDEHCRTR1GPR55
SCHEMBL1005522 0.84 POLB (0.42) KMT2AMEN1IDEGAAP2RX7
SCHEMBL1004644 0.83 METAP2 (0.35) KMT2AMETAP2MEN1IDECCR3
SCHEMBL1003927 0.83 PTGS1 (0.35) KMT2AMETAP2MEN1HDAC6ALDH1A1
SCHEMBL1002831 0.82 XDH (0.38) KMT2AMEN1CYP1A2POLBALDH1A1
SCHEMBL1004434 0.81 TSHR (0.40) KMT2AMEN1HCRTR1P2RX7ALDH1A1

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 KMT2A 1372/4885METAP2 426/4885MEN1 4856/4885

“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.