SCHEMBL5842444

SCHEMBL5842444

N[C@@]1(C(=O)OC(c2ccccc2)c2ccccc2)CC[C@H]2[C@H](C(=O)O)[C@H]21

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.52
GRM3 Q14832 5/20 0.52
GRM6 O15303 3/20 0.52
GRM8 O00222 1/20 0.52
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 1/20 0.50
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
KIF11 P52732 1/20 0.34
IDO1 P14902 3/20 0.32
TDO2 P48775 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
SCHEMBL6693393 0.75 GRM2 (0.50) GRM2GRM3GRM6GRM8SLC1A2
SCHEMBL6693397 0.75 GRM2 (0.50) GRM2GRM3GRM6GRM8SLC1A2
SCHEMBL6702212 0.75 GRM2 (0.50) GRM2GRM3GRM6GRM8SLC1A2
SCHEMBL23718843 0.75 SLC1A2 (0.57) GRM2GRM3GRM6GRM8SLC1A2
SCHEMBL6695863 0.72 GRM2 (0.47) GRM2GRM3GRM6GRM8SLC1A2
Hydrochloric Acid SCHEMBL5841578 0.72 GRM2 (0.47) GRM2GRM3GRM6GRM8SLC1A2
SCHEMBL5840776 0.72 SLC1A2 (0.48) GRM2GRM3GRM6GRM8SLC1A2
Hydrochloric Acid SCHEMBL4810986 0.72 SLC1A2 (0.66) GRM2GRM3GRM6GRM8SLC1A2
SCHEMBL5842175 0.72 ALDH1A1 (0.38)
SCHEMBL5847018 0.72 ALDH1A1 (0.38)

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 3 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-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 (2 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 GRM2 19/4885GRM3 15/4885GRM6 39/4885
US-20040138304-A1 Prodrugs of excitatory amino acids SLC1A2, SLC1A1, SLC1A3 GRM2 22/4885GRM3 25/4885GRM6 27/4885

“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.