SCHEMBL29709229

SCHEMBL29709229

COc1cccc(C(=O)N[C@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@@H]32)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 18/20 1.00
GRM3 Q14832 18/20 1.00
GRM6 O15303 3/20 1.00
GRM4 Q14833 1/20 1.00
GRM8 O00222 1/20 0.54
MEN1 O00255 1/20 0.47
FAAH O00519 1/20 0.47
CNR2 P34972 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL24606225 1.00 GRM2 (1.00) GRM2GRM3GRM6GRM4GRM8
SCHEMBL6789617 1.00 GRM2 (1.00) GRM2GRM3GRM6GRM4GRM8
SCHEMBL6793703 0.87 GRM2 (1.00) GRM2GRM3GRM6GRM4GRM8
SCHEMBL6906939 0.87 GRM2 (0.83) GRM2GRM3GRM6GRM4GRM8
SCHEMBL6906931 0.87 GRM2 (0.83) GRM2GRM3GRM6GRM4GRM8
SCHEMBL6795693 0.86 GRM2 (0.78) GRM2GRM3GRM6GRM4GRM8
SCHEMBL6794351 0.85 GRM2 (1.00) GRM2GRM3GRM6GRM4GRM8
SCHEMBL6793748 0.84 GRM2 (0.73) GRM2GRM3GRM6GRM4GRM8
SCHEMBL6788367 0.84 GRM2 (1.00) GRM2GRM3GRM6GRM4GRM8
SCHEMBL7312412 0.84 GRM2 (1.00) GRM2GRM3GRM6GRM4GRM8

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-20220313650-A1 METHODS FOR TREATING NEURODEVELOPMENTAL DISORDERS THE BROAD INSTITUTE, INC. (US) 2022-10-06 US disclosed
US-20220211658-A1 METHODS FOR TREATING DISORDERS ASSOCIATED WITH SLEEP SPINDLE DEFICITS THE BROAD INSTITUTE, INC. (US) 2022-07-07 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-20220313650-A1 METHODS FOR TREATING NEURODEVELOPMENTAL DISORDERS GRIN2A, GRIN2B, GRM2 GRM2 3/4885GRM3 6/4885GRM6 19/4885
US-20220211658-A1 METHODS FOR TREATING DISORDERS ASSOCIATED WITH SLEEP SPINDLE DEFICITS HCRTR2, GRIN2A, GRM2 GRM2 3/4885GRM3 10/4885GRM6 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.