Valine

Valine

SCHEMBL15638487

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

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.38
GRIK1 P39086 2/20 0.38
GRIK2 Q13002 2/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 1/20 0.36
TSHR P16473 2/20 0.36
ACE2 Q9BYF1 1/20 0.36
PLA2G2A P14555 1/20 0.36
HTR2C P28335 1/20 0.36
GPR84 Q9NQS5 3/20 0.35
NAAA Q02083 1/20 0.35
FFAR1 O14842 1/20 0.35

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
Valine SCHEMBL5401541 0.86 SLC7A5 (0.56) SLC7A5GRIK1GRIK2SLC1A2SLC1A1
Valine SCHEMBL4045692 0.85 SLC7A5 (0.71) SLC7A5SMN1; SMN2GRIK1GRIK2SLC1A2
Valine SCHEMBL8726713 0.84 SLC7A5 (0.54) SLC7A5GRIK1GRIK2TSHRACE2
Dodecane SCHEMBL28109673 0.83 SLC7A5 (0.68) SLC7A5GRIK1GRIK2SLC1A2SLC1A1
Valine SCHEMBL11005807 0.83 SLC7A5 (0.68) SLC7A5GRIK1GRIK2SLC1A2SLC1A1
Valine SCHEMBL9355634 0.83 SLC7A5 (0.52) SLC7A5GRIK1GRIK2SLC1A2SLC1A1
Valine SCHEMBL28555130 0.78 SLC7A5 (0.60) SLC7A5GRIK1GRIK2SLC1A2SLC1A1
Valine SCHEMBL11876966 0.77 SLC7A5 (0.79) SLC7A5GRIK1GRIK2SLC1A2SLC1A1
Tetrabuthylammonium SCHEMBL18878889 0.77 SLC7A5 (0.58) SLC7A5SMN1; SMN2GRIK1GRIK2SLC1A2
Tetrabuthylammonium SCHEMBL18878892 0.77 SLC7A5 (0.58) SLC7A5SMN1; SMN2GRIK1GRIK2SLC1A2

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-20140100255-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC (US) 2014-04-10 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-20140100255-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 SLC7A5 1950/4885SMN1; SMN2 1774/4885GRIK1 324/4885

“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.