SCHEMBL4756180

SCHEMBL4756180

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nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 4/20 0.52
SLC1A2 P43004 4/20 0.52
SLC1A1 P43005 3/20 0.52
CA2 P00918 2/20 0.48
MAPK1 P28482 1/20 0.48
CHRM1 P11229 2/20 0.44
ADRA1A P35348 2/20 0.44
AKR1A1 P14550 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA1 P00915 1/20 0.41
GCLC P48506 2/20 0.41
GRIK1 P39086 1/20 0.39

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
SCHEMBL4756185 1.00 SLC1A3 (0.52) SLC1A3SLC1A2SLC1A1CA2MAPK1
SCHEMBL16683908 1.00 SLC1A3 (0.52) SLC1A3SLC1A2SLC1A1CA2MAPK1
SCHEMBL3833965 0.82 CA2 (0.54) SLC1A3SLC1A2SLC1A1CA2MAPK1
SCHEMBL27809820 0.81 CHRM1 (0.65) SLC1A3SLC1A2SLC1A1CA2MAPK1
SCHEMBL21017198 0.81 CHRM1 (0.65) SLC1A3SLC1A2SLC1A1CA2MAPK1
SCHEMBL19192783 0.80 CA2 (0.41) SLC1A3SLC1A2SLC1A1CA2MAPK1
SCHEMBL26838933 0.79 FOLH1 (0.54) SLC1A3SLC1A2SLC1A1CA2MAPK1
SCHEMBL61510 0.79 FOLH1 (0.54) SLC1A3SLC1A2SLC1A1CA2MAPK1
Hydroxyamine SCHEMBL4703121 0.78 CA2 (0.64) SLC1A3SLC1A2SLC1A1CA2MAPK1
Methylamine SCHEMBL27900431 0.78 CA2 (0.64) SLC1A3SLC1A2SLC1A1CA2MAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348493-A1 COMPOUND FOR ADJUSTING ACTIVITY OF NMDA RECEPTOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF BEIJING GREATWAY PHARMACEUTICAL TECHNOLOGY CO. LTD. (CN) 2023-11-02 US disclosed
US-9062028-B2 Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-23 US disclosed
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-03-20 US disclosed
WO-2008155619-A2 PREPARATION OF OPTICALLY-ACTIVE CYCLIC AMINO ACIDS PFIZER INC. (US) 2008-12-24 WO 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-20230348493-A1 COMPOUND FOR ADJUSTING ACTIVITY OF NMDA RECEPTOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF GRIN1, GRIN3A, GRIN2C SLC1A3 86/4885SLC1A2 41/4885SLC1A1 62/4885
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS GRK5, GPBAR1, GPR55 SLC1A3 1037/4885SLC1A2 1100/4885SLC1A1 1169/4885

“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.