SCHEMBL13319941

SCHEMBL13319941

Cc1onc(C(=O)O)c1C[C@H](N)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 5/20 1.00
GRIA3 P42263 5/20 1.00
GRIA2 P42262 4/20 0.59
GRIA4 P48058 4/20 0.59
MAPT P10636 2/20 0.49
GRIK1 P39086 2/20 0.49
GRIK5 Q16478 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
GRIK2 Q13002 1/20 0.49
GRIK3 Q13003 1/20 0.49
GRIK4 Q16099 1/20 0.49
MAPK1 P28482 1/20 0.49
SLC7A11 Q9UPY5 1/20 0.48

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
SCHEMBL17596528 0.85 GRIA1 (0.74) GRIA1GRIA3GRIA2GRIA4MAPT
SCHEMBL8812980 0.83 GRIA1 (0.71) GRIA1GRIA3GRIA2GRIA4MAPT
SCHEMBL8812978 0.83 GRIA1 (0.71) GRIA1GRIA3GRIA2GRIA4MAPT
(S)-Ampa SCHEMBL667915 0.82 GRIA1 (0.69) GRIA1GRIA3GRIA2GRIA4MAPT
(R,S)-Ampa SCHEMBL68799 0.82 GRIA1 (0.69) GRIA1GRIA3GRIA2GRIA4MAPT
(R,S)-Ampa SCHEMBL2458874 0.82 GRIA1 (0.69) GRIA1GRIA3GRIA2GRIA4MAPT
(R,S)-Ampa SCHEMBL7200264 0.81 GRIA1 (0.68) GRIA1GRIA3GRIA2GRIA4MAPT
(R,S)-Ampa SCHEMBL7200262 0.81 GRIA1 (0.68) GRIA1GRIA3GRIA2GRIA4MAPT
SCHEMBL7167715 0.77 GRIA1 (0.71) GRIA1GRIA3GRIA2GRIA4MAPT
SCHEMBL7167719 0.77 GRIA1 (0.71) GRIA1GRIA3GRIA2GRIA4MAPT

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 GRIA1 22/4885GRIA3 18/4885GRIA2 21/4885

“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.