SCHEMBL13319983

SCHEMBL13319983

N[C@@]1(C(=O)O)CCC2C[C@H](C(=O)O)C21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 9/20 0.53
GRM6 O15303 8/20 0.53
GRM3 Q14832 6/20 0.53
GRM8 O00222 4/20 0.53
GRM4 Q14833 6/20 0.41
GRM5 P41594 4/20 0.41
GRM1 Q13255 3/20 0.41
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
SLC6A12 P48065 1/20 0.39
SLC6A11 P48066 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
SLC6A4 P31645 1/20 0.38

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
SCHEMBL2231253 0.74 GRM2 (0.45) GRM2GRM6GRM3GRM8GRM4
SCHEMBL678446 0.74 GRM2 (0.45) GRM2GRM6GRM3GRM8GRM4
SCHEMBL2230041 0.74 GRM2 (0.45) GRM2GRM6GRM3GRM8GRM4
SCHEMBL2231255 0.74 GRM2 (0.45) GRM2GRM6GRM3GRM8GRM4
SCHEMBL2788379 0.74 GRM2 (0.45) GRM2GRM6GRM3GRM8GRM4
SCHEMBL2562686 0.72 GRM2 (0.50) GRM2GRM6GRM3GRM8GRM4
SCHEMBL25662353 0.72 GRM2 (0.50) GRM2GRM6GRM3GRM8GRM4
SCHEMBL11137888 0.72 GRM2 (0.50) GRM2GRM6GRM3GRM8GRM4
Eglumetad SCHEMBL481248 0.69 GRM2 (1.00) GRM2GRM6GRM3GRM8GRM4
Eglumetad SCHEMBL13728495 0.69 GRM2 (1.00) GRM2GRM6GRM3GRM8GRM4

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-20100144868-A1 Novel Neuroprotective Compounds and Uses Thereof RAMOT AT AVIV UNIVERSITY LTD. (IL) 2010-06-10 US disclosed
US-20100144868-A1 Novel Neuroprotective Compounds and Uses Thereof RAMOT AT AVIV UNIVERSITY LTD. (IL) 2010-06-10 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-20100144868-A1 Novel Neuroprotective Compounds and Uses Thereof GRM2, GRIN1, GRM3 GRM2 1/4885GRM6 14/4885GRM3 3/4885

“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.