SCHEMBL4937720

SCHEMBL4937720

C=CC(C)CC(N)=CC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 4/20 0.32
GRIA2 P42262 2/20 0.32
GRIA4 P48058 2/20 0.32
GRIK3 Q13003 2/20 0.32
GRIK5 Q16478 2/20 0.32
GRIK2 Q13002 2/20 0.32
GRIA1 P42261 1/20 0.32
TSHR P16473 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
BLM P54132 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
GABRP O00591 2/20 0.30
GABRD O14764 2/20 0.30
GABRA1 P14867 2/20 0.30

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
SCHEMBL4937710 1.00 GRIK1 (0.32) GRIK1GRIA2GRIA4GRIK3GRIK5
SCHEMBL4937711 1.00 GRIK1 (0.32) GRIK1GRIA2GRIA4GRIK3GRIK5
SCHEMBL5458863 0.79 ALDH1A1 (0.40) GRIK1GRIA2GRIA4GRIK3GRIK5
SCHEMBL5458858 0.79 ALDH1A1 (0.40) GRIK1GRIA2GRIA4GRIK3GRIK5
SCHEMBL4934096 0.78 GABRP (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4934089 0.78 GABRP (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4934086 0.78 GABRP (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL722813 0.76
SCHEMBL4936524 0.76 GABRP (0.31) GRIK1GRIK2GABRPGABRDGABRA1
SCHEMBL4936532 0.76 GABRP (0.31) GRIK1GRIK2GABRPGABRDGABRA1

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-20080194841-A1 Preparation of Optically Pure Beta-Amino Acids Having Affinity for the Alpha-Delta Protein PFIZER INC. 2008-08-14 US claimed
US-20080194841-A1 Preparation of Optically Pure Beta-Amino Acids Having Affinity for the Alpha-Delta Protein PFIZER INC. 2008-08-14 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 (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-20080194841-A1 Preparation of Optically Pure Beta-Amino Acids Having Affinity for the Alpha-Delta Protein OPRD1, CHRND, CHRNE GRIK1 166/4885GRIA2 171/4885GRIA4 263/4885

“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.