SCHEMBL18100237

SCHEMBL18100237

CC[C@H](CC(=O)NCCN)CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.42
CACNA1C Q13936 2/20 0.42
CACNB3 P54284 1/20 0.42
PGR P06401 1/20 0.42
ADRA1A P35348 1/20 0.42
HTR2B P41595 1/20 0.42
CACNA2D2 Q9NY47 1/20 0.42
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PSMB5 P28074 2/20 0.34
ANPEP P15144 3/20 0.33
RNPEP Q9H4A4 2/20 0.33
DNPEP Q9ULA0 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNA1B Q00975 1/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL4505848 0.79 SMN1; SMN2 (0.52) TP53SMN1; SMN2PSMB5ALDH1A1KMT2A
SCHEMBL25574095 0.78 CA1 (0.41) TP53SMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL13003356 0.77 GNAI3 (0.44) ALDH1A1
SCHEMBL24164337 0.76 CACNA2D1 (0.42) CACNA2D1CACNA1CCACNB3PGRADRA1A
SCHEMBL18103106 0.75 AAK1 (0.42) CACNA2D1CACNA1CCACNB3PGRADRA1A
SCHEMBL9795280 0.74 ALDH1A1 (0.47) TP53SMN1; SMN2PSMB5ALDH1A1KMT2A
SCHEMBL22330429 0.73 CACNA2D1 (0.51) CACNA2D1CACNA1CCACNB3PGRADRA1A
SCHEMBL22330370 0.73 CACNA2D1 (0.51) CACNA2D1CACNA1CCACNB3PGRADRA1A
SCHEMBL18103110 0.73 CACNA2D1 (0.51) CACNA2D1CACNA1CCACNB3PGRADRA1A
SCHEMBL21888407 0.72 GABRR1 (0.50) TP53SMN1; SMN2ALDH1A1KMT2AHPGD

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-11703514-B2 Pregabalin immunoassays ARK DIAGNOSTICS, INC. (US) 2023-07-18 US disclosed
US-20160282370-A1 PREGABALIN IMMUNOASSAYS ARES CAPITAL CORPORATION, AS ADMINISTRATIVE AGENT 2016-09-29 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 (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-20160282370-A1 PREGABALIN IMMUNOASSAYS GABRG3, GABRG1, GABRB2 CACNA2D1 107/4885CACNA1C 168/4885CACNB3 46/4885
US-11703514-B2 Pregabalin immunoassays GABRG3, GABRG1, GABRB2 CACNA2D1 107/4885CACNA1C 168/4885CACNB3 46/4885

“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.