SCHEMBL1004958

SCHEMBL1004958

COC(=O)c1cc2c([nH]1)C(CCc1cccc3ccccc13)CC2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC18A2 Q05940 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
MTNR1A P48039 7/20 0.38
MTNR1B P49286 5/20 0.38
NQO2 P16083 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
S1PR5 Q9H228 2/20 0.38

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
SCHEMBL2075624 0.88 SLC6A2 (0.42) SLC18A2SLC6A2SLC6A4MTNR1AS1PR5
SCHEMBL1004646 0.78 HCAR2 (0.42) MTNR1AMTNR1BNQO2
SCHEMBL1003729 0.73 ATM (0.46) SLC6A2SLC6A4
SCHEMBL12951926 0.73 KMT2A (0.33) MTNR1AMTNR1BNQO2
SCHEMBL1003759 0.72 ESR1 (0.51)
SCHEMBL1004115 0.72 MMP2 (0.41)
SCHEMBL1003764 0.72 MMP1 (0.45) MTNR1A
SCHEMBL2076153 0.72 POLB (0.44) SLC6A2
SCHEMBL1005498 0.70 DAO (0.40) MTNR1B
SCHEMBL12777447 0.70 DAO (0.40) MTNR1B

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 5 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
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

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 SLC18A2 240/4885SLC6A2 617/4885SLC6A4 973/4885

“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.