SCHEMBL1003670

SCHEMBL1003670

COC(=O)c1cc2c([nH]1)CCC2Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.39
MGLL Q99685 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
FFAR1 O14842 3/20 0.38
F10 P00742 1/20 0.38
CASR P41180 1/20 0.38
PAX8 Q06710 3/20 0.36
CHRM3 P20309 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
MMP1 P03956 1/20 0.36
MMP12 P39900 1/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL1004070 0.89 MMP2 (0.42) FFAR1KDM4ECYP3A4MMP1MMP12
SCHEMBL1004674 0.89 ESR1 (0.41) MMP1MMP12MEN1KMT2A
SCHEMBL2076657 0.89 DHODH (0.41) AGXTMGLLSIRT2FFAR1F10
SCHEMBL1003793 0.88 MMP1 (0.35) CHRM3MMP1MMP12
SCHEMBL1004866 0.83 CYP26A1 (0.42) MEN1KMT2A
SCHEMBL2074424 0.82 MMP1 (0.41) MMP1MMP12MEN1KMT2A
SCHEMBL2077322 0.82 HCRTR1 (0.43) PAX8KDM4E
SCHEMBL2075046 0.81 ESR1 (0.33) FFAR1MMP1MMP12
SCHEMBL1003014 0.81 MMP2 (0.39) KDM4EMMP12MEN1KMT2A
SCHEMBL1004824 0.81 ALDH1A1 (0.41) KDM4EPKMMEN1KMT2A

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 AGXT 132/4885MGLL 2303/4885SIRT2 4070/4885

“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.