SCHEMBL7136251

SCHEMBL7136251

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CACNA2D1 P54289 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.30
ECE1 P42892 1/20 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
SCHEMBL7895720 0.82 CA2 (0.40) SLC1A3SLC1A2SLC1A1CA1CA2
SCHEMBL276429 0.81
SCHEMBL7001739 0.80 ALDH1A1 (0.50) SLC1A3SLC1A2SLC1A1CA1CA2
SCHEMBL11931661 0.80 CACNA2D1 (0.47) SLC1A3SLC1A2CA2CACNA2D1CACNB3
SCHEMBL5019695 0.80 CACNA2D1 (0.47) SLC1A3SLC1A2SLC1A1CA1CACNA2D1
SCHEMBL13855467 0.80 CACNA2D1 (0.47) SLC1A3SLC1A2CA2CACNA2D1CACNB3
SCHEMBL10236482 0.80 CA2 (0.35) CA1CA2ALDH1A1
SCHEMBL3892080 0.79 CA2 (0.34) SLC1A3SLC1A2SLC1A1CA1CA2
SCHEMBL28570922 0.79 CA2 (0.34) SLC1A3SLC1A2SLC1A1CA1CA2
SCHEMBL79562 0.78 ALDH1A1 (0.52) CA1CA2ALDH1A1TDP1

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-6521790-B2 A most preferred compound is (2R)-2-propyl-4-hexynamide, an analog of valproic acid. treating seizures, migraine, psychiatric disorders, neuropathic pain and restlessness syndrome; neuroprotecting a cerebral insult; ABBOTT LABORATORIES 2003-02-18 US disclosed
US-20020123528-A1 Alkynyl amides and their therapeutic applications ABBVIE INC. 2002-09-05 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-20020123528-A1 Alkynyl amides and their therapeutic applications SCN1A, FAAH2, SCN1B SLC1A3 86/4885SLC1A2 17/4885SLC1A1 71/4885

“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.