SCHEMBL1004610

SCHEMBL1004610

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
IDO1 P14902 6/20 0.38
TDO2 P48775 6/20 0.38
NPSR1 Q6W5P4 1/20 0.36
RPA1 P27694 1/20 0.36
ESR1 P03372 4/20 0.34
ESR2 Q92731 4/20 0.34
PIK3CA P42336 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CNR1 P21554 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
RHEB Q15382 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
SCHEMBL1006811 0.90 KDM4A (0.37) ESR1ESR2PTGS1PTGS2
SCHEMBL1004613 0.90 KDM5A (0.37) IDO1TDO2ESR1ESR2CNR1
SCHEMBL1002765 0.87 MEN1 (0.36) GRM2GRM3HDAC3HDAC1HDAC2
SCHEMBL1004540 0.87 ESR1 (0.41) ESR1ESR2RHEB
SCHEMBL1007006 0.84 ESR1 (0.38) ESR1ESR2
SCHEMBL1005137 0.84 ESR1 (0.42) ESR1ESR2
SCHEMBL2075867 0.83 FAAH (0.36) ESR1ESR2RHEB
SCHEMBL1003672 0.81 HCAR2 (0.40) ESR1ESR2
SCHEMBL12777445 0.80 DDB1 (0.44) ESR1ESR2
SCHEMBL1003853 0.80 DDB1 (0.44) ESR1ESR2

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 GRM2 693/4885GRM3 1049/4885IDO1 694/4885

“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.