SCHEMBL1004575

SCHEMBL1004575

NC(=O)c1cccc(CC2CCc3[nH]c(C(=O)O)cc32)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.44
OPRM1 P35372 4/20 0.44
KCNH2 Q12809 4/20 0.44
OPRD1 P41143 3/20 0.44
HSD17B1 P14061 5/20 0.40
CYP3A4 P08684 2/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
SLC6A4 P31645 1/20 0.36
CDKN1A P38936 1/20 0.36
EPHX1 P07099 1/20 0.35
CFD P00746 1/20 0.35
GRIK1 P39086 1/20 0.35
FABP4 P15090 1/20 0.35
FOLH1 Q04609 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
SCHEMBL1004863 0.89 CDKN1A (0.47) HSD17B1MAOBESR1ESR2SLC6A4
SCHEMBL12952179 0.86 ESR1 (0.40) MAOAMAOBESR1ESR2
SCHEMBL12777445 0.85 DDB1 (0.44) ESR1ESR2
SCHEMBL1003853 0.85 DDB1 (0.44) ESR1ESR2
SCHEMBL2077165 0.84 MMP1 (0.41) ESR1ESR2
SCHEMBL1005137 0.84 ESR1 (0.42) ESR1ESR2
SCHEMBL1006812 0.84 ESR1 (0.40) ESR1ESR2
SCHEMBL1003672 0.84 HCAR2 (0.40) ESR1ESR2
SCHEMBL1005398 0.84 ALDH1A1 (0.40) ESR1ESR2CDKN1A
SCHEMBL2077304 0.83 ESR1 (0.39) 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 OPRK1 204/4885OPRM1 1022/4885KCNH2 1886/4885

“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.