SCHEMBL1004613

SCHEMBL1004613

O=C(O)c1cc2c([nH]1)CCC2Cc1ccc(F)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
CNR1 P21554 3/20 0.36
CNR2 P34972 1/20 0.36
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
ESR1 P03372 4/20 0.34
ESR2 Q92731 4/20 0.34
SIGMAR1 Q99720 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
RHEB Q15382 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33

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
SCHEMBL1004610 0.90 GRM2 (0.39) CNR1PTGS1PTGS2ESR1ESR2
SCHEMBL1007006 0.88 ESR1 (0.38) ESR1ESR2ALDH1A1TSHRHCAR2
SCHEMBL1003927 0.86 PTGS1 (0.35) KDM5AKDM5BCNR1CNR2PTGS1
SCHEMBL1004540 0.85 ESR1 (0.41) ESR1ESR2TSHRRHEB
SCHEMBL1003672 0.84 HCAR2 (0.40) ESR1ESR2SIGMAR1ALDH1A1TSHR
SCHEMBL1003853 0.83 DDB1 (0.44) ESR1ESR2ALDH1A1L3MBTL1
SCHEMBL12777445 0.83 DDB1 (0.44) ESR1ESR2ALDH1A1L3MBTL1
SCHEMBL1006811 0.83 KDM4A (0.37) KDM5AKDM5BPTGS1PTGS2ESR1
SCHEMBL1005295 0.83 PPARD (0.35) ESR1ESR2
SCHEMBL1003668 0.82 ESR1 (0.38) ESR1ESR2RHEB

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 KDM5A 1098/4885KDM5B 1298/4885CNR1 2978/4885

“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.