SCHEMBL3856960

SCHEMBL3856960

CCCCC[C@@H](CCC)C(N)=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.65
CA1 P00915 3/20 0.65
GRIK1 P39086 2/20 0.50
GRIK2 Q13002 2/20 0.50
SLC1A2 P43004 2/20 0.50
SLC1A1 P43005 2/20 0.50
CHRM1 P11229 1/20 0.46
AKR1A1 P14550 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPK1 P28482 1/20 0.45
CYP3A4 P08684 2/20 0.44

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
SCHEMBL4151185 1.00 CA2 (0.65) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL3452084 0.98 CA2 (0.63) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL7209672 0.98 CA2 (0.63) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL276768 0.98 CA2 (0.63) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL7212250 0.98 CA2 (0.63) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL490747 0.98 CA2 (0.63) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL3855790 0.98 CA2 (0.63) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL3861238 0.98 CA2 (0.63) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL1672036 0.98 CA2 (0.63) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL7204823 0.98 CA2 (0.63) CA2CA1GRIK1GRIK2SLC1A2

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-7589221-B2 Industrial scale process; treats neurodegenerative diseases; high optical purity; less dangerous reaction ONO PHARMACEUTICAL CO., LTD. (JP) 2009-09-15 US disclosed
US-20060135802-A1 Process for producing (2r)-2-propyloctanoic acid and intermediate therefor ONO PHARMACEUTICAL CO., LTD. (JP) 2006-06-22 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-20060135802-A1 Process for producing (2r)-2-propyloctanoic acid and intermediate therefor CYP51A1, POR, GRHPR CA2 723/4885CA1 737/4885GRIK1 1627/4885

“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.