Leucine

Leucine

SCHEMBL3497103

CC(C)C[C@H](N)C(=O)O.CC[C@H](C)[C@H](N)C(=O)O.NCC(=O)O

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D

The experimentally established mechanism targets of Leucine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.60
SLC1A2 P43004 7/20 0.49
SLC1A3 P43003 6/20 0.49
SLC1A1 P43005 7/20 0.46
GRIK1 P39086 7/20 0.40
GRIK2 Q13002 6/20 0.40
CACNA2D1 P54289 2/20 0.37
CACNB3 P54284 1/20 0.37
CACNA1C Q13936 1/20 0.37
PGR P06401 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
CACNA2D2 Q9NY47 1/20 0.37
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36

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
Leucine SCHEMBL21747499 1.00 SLC7A5 (0.60) SLC7A5SLC1A2SLC1A3SLC1A1GRIK1
Leucine SCHEMBL5494110 1.00 SLC7A5 (0.60) SLC7A5SLC1A2SLC1A3SLC1A1GRIK1
Leucine SCHEMBL3497616 1.00 SLC7A5 (0.60) SLC7A5SLC1A2SLC1A3SLC1A1GRIK1
Leucine SCHEMBL2550681 0.97 SLC7A5 (0.56) SLC7A5SLC1A2SLC1A3SLC1A1GRIK1
Leucine SCHEMBL27431264 0.95 SLC7A5 (0.55) SLC7A5SLC1A2SLC1A3SLC1A1GRIK1
Leucine SCHEMBL2545364 0.95 SLC7A5 (0.55) SLC7A5SLC1A2SLC1A3SLC1A1GRIK1
Leucine SCHEMBL8007496 0.94 SLC7A5 (0.53) SLC7A5SLC1A2SLC1A3SLC1A1GRIK1
Leucine SCHEMBL8021495 0.94 SLC7A5 (0.53) SLC7A5SLC1A2SLC1A3SLC1A1GRIK1
Leucine SCHEMBL8021491 0.94 SLC7A5 (0.53) SLC7A5SLC1A2SLC1A3SLC1A1GRIK1
Leucine SCHEMBL28051118 0.94 SLC7A5 (0.53) SLC7A5SLC1A2SLC1A3SLC1A1GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100143364-A1 Chimeric Antibodies, Compositions and Methods for Treating Cocaine-Related Disorders VYBION, INC. (US) 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-20100143364-A1 Chimeric Antibodies, Compositions and Methods for Treating Cocaine-Related Disorders CES2, CHRNA5, CHRNA3 SLC7A5 4325/4885SLC1A2 164/4885SLC1A3 254/4885

“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.