SCHEMBL20731925

SCHEMBL20731925

CCOC(=O)[C@@H]1[C@@H]2C[C@@H](OCc3ccc(F)cc3)[C@@](N)(C#N)[C@@H]21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.42
GRM3 Q14832 4/20 0.42
FABP7 O15540 1/20 0.34
FABP5 Q01469 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.34
RECQL P46063 1/20 0.34
NAAA Q02083 1/20 0.33
PPARG P37231 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL19508460 1.00 GRM2 (0.42) GRM2GRM3FABP7FABP5SLC6A3
SCHEMBL20730984 1.00 GRM2 (0.42) GRM2GRM3FABP7FABP5SLC6A3
SCHEMBL20731962 1.00 GRM2 (0.42) GRM2GRM3FABP7FABP5SLC6A3
SCHEMBL20722251 0.86 GRM2 (0.55) GRM2GRM3FABP7FABP5NAAA
SCHEMBL19508459 0.79 GRM2 (0.34) GRM2GRM3MAPTMEN1KMT2A
SCHEMBL20730986 0.79 GRM2 (0.34) GRM2GRM3MAPTMEN1KMT2A
SCHEMBL19508648 0.76 NAAA (0.35) GRM2GRM3NAAA
SCHEMBL19177219 0.74 GRM2 (0.36) GRM2GRM3MEN1KMT2AALDH1A1
SCHEMBL8892415 0.73 PPARG (0.34) GRM2GRM3SLC6A3MAPTMEN1
SCHEMBL7392780 0.72 GRM2 (0.46) GRM2GRM3FABP7FABP5

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-10689327-B2 Prodrug amino acid derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2020-06-23 US disclosed
US-10464884-B2 Prodrug of amino acid derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2019-11-05 US disclosed
US-20190047943-A1 PRODRUG OF AMINO ACID DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2019-02-14 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 (3 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-10689327-B2 Prodrug amino acid derivative GRIN2A, SLC1A2, SLC1A1 GRM2 12/4885GRM3 26/4885FABP7 111/4885
US-10464884-B2 Prodrug of amino acid derivative GRIN2A, SLC1A2, SLC1A1 GRM2 13/4885GRM3 28/4885FABP7 114/4885
US-20190047943-A1 PRODRUG OF AMINO ACID DERIVATIVE GRIN2A, SLC1A2, SLC1A1 GRM2 13/4885GRM3 28/4885FABP7 114/4885

“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.