SCHEMBL5841333

SCHEMBL5841333

NC1(C(=O)O)CCC2C(C(=O)OCc3ccccc3Oc3ccccc3)C21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.44
GRM6 O15303 1/20 0.44
GRM2 Q14416 1/20 0.44
GRM3 Q14832 1/20 0.44
FFAR4 Q5NUL3 6/20 0.42
FFAR1 O14842 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CYP2D6 P10635 1/20 0.36
HRH1 P35367 1/20 0.36
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
CCR8 P51685 1/20 0.34
KCNH2 Q12809 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL5841690 0.83 FABP7 (0.46) GRM8GRM6GRM2GRM3FFAR4
SCHEMBL9509117 0.75 MAPT (0.51) FFAR4FFAR1MEN1KMT2ASLC6A2
SCHEMBL5840977 0.75 GRM8 (0.47) GRM8GRM6GRM2GRM3MEN1
SCHEMBL6469153 0.75 GRM8 (0.47) GRM8GRM6GRM2GRM3MEN1
SCHEMBL6700199 0.74 GRM2 (0.49) GRM8GRM6GRM2GRM3MEN1
SCHEMBL8530205 0.74 FABP7 (0.45) GRM8GRM6GRM2GRM3SLC1A2
SCHEMBL5841166 0.73 SLC1A2 (0.46) GRM8GRM6GRM2GRM3MEN1
SCHEMBL5841867 0.73 GRM2 (0.50) GRM8GRM6GRM2GRM3FFAR4
SCHEMBL6466259 0.73 GRM2 (0.50) GRM8GRM6GRM2GRM3FFAR4
Hydrochloric Acid SCHEMBL5840940 0.71 GRM8 (0.48) GRM8GRM6GRM2GRM3SLC1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7038077-B2 Prodrugs of excitatory amino acids ELI LILLY AND COMPANY (US) 2006-05-02 US disclosed
US-20050009912-A1 Prodrugs of excitatory amino acids ELI LILLY AND COMPANY 2005-01-13 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-20050009912-A1 Prodrugs of excitatory amino acids SLC1A2, SLC1A3, SLC1A1 GRM8 46/4885GRM6 39/4885GRM2 19/4885

“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.