SCHEMBL5841850

SCHEMBL5841850

C=CCOC(=O)N[C@@]1(C(=O)O)CC[C@H]2[C@H](C(=O)O)[C@H]21

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.39
GRM3 Q14832 4/20 0.39
GRM8 O00222 1/20 0.39
GRM6 O15303 1/20 0.39
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
CASP1 P29466 1/20 0.31
KCNA3 P22001 1/20 0.31

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
SCHEMBL29484698 1.00 GRM2 (0.39) GRM2GRM3GRM8GRM6SLC1A2
SCHEMBL6527774 0.91 GRM2 (0.35) GRM2GRM3GRM8GRM6CASP1
SCHEMBL5841128 0.91 GRM2 (0.35) GRM2GRM3GRM8GRM6CASP1
SCHEMBL5840380 0.91 GRM2 (0.35) GRM2GRM3GRM8GRM6CASP1
SCHEMBL6526776 0.91 GRM2 (0.35) GRM2GRM3GRM8GRM6CASP1
SCHEMBL5847018 0.81 ALDH1A1 (0.38) CASP1KCNA3
SCHEMBL5842175 0.81 ALDH1A1 (0.38) CASP1KCNA3
SCHEMBL5842801 0.80 GRM2 (0.36) GRM2GRM3
SCHEMBL5841180 0.80 GRM2 (0.36) GRM2GRM3
SCHEMBL5841443 0.79 GRM2 (0.37) GRM2GRM3

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-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
US-20040248963-A1 Prodrugs of excitatory amino acids ELI LILLY AND COMPANY 2004-12-09 US disclosed
US-20040176459-A1 Prodrugs of excitatory amino acids ELI LILLY AND COMPANY 2004-09-09 US disclosed
US-20040138304-A1 Prodrugs of excitatory amino acids ELI LILLY AND COMPANY 2004-07-15 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 (4 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-20040176459-A1 Prodrugs of excitatory amino acids SLC1A2, SLC1A1, SLC1A3 GRM2 22/4885GRM3 25/4885GRM8 44/4885
US-20050009912-A1 Prodrugs of excitatory amino acids SLC1A2, SLC1A3, SLC1A1 GRM2 19/4885GRM3 15/4885GRM8 46/4885
US-20040138304-A1 Prodrugs of excitatory amino acids SLC1A2, SLC1A1, SLC1A3 GRM2 22/4885GRM3 25/4885GRM8 44/4885
US-20040248963-A1 Prodrugs of excitatory amino acids SLC1A2, SLC1A1, SLC1A3 GRM2 20/4885GRM3 21/4885GRM8 52/4885

“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.