SCHEMBL18078097

SCHEMBL18078097

CC(C)CC(CN)CC(=O)NCCN1C(=O)C=CC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.46
CACNA1C Q13936 2/20 0.46
CACNB3 P54284 1/20 0.46
PGR P06401 1/20 0.46
ADRA1A P35348 1/20 0.46
HTR2B P41595 1/20 0.46
CACNA2D2 Q9NY47 1/20 0.46
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1B Q00975 1/20 0.38
OPRM1 P35372 3/20 0.37
OPRD1 P41143 3/20 0.37
OPRK1 P41145 3/20 0.37
AKT1 P31749 1/20 0.35
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
KMT2A Q03164 1/20 0.32
FAAH O00519 2/20 0.32

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
SCHEMBL16307668 0.83 SMN1; SMN2 (0.49) ADRA1AOPRM1OPRD1OPRK1AKT1
SCHEMBL24164344 0.80 NAMPT (0.37) OPRM1OPRD1OPRK1AKT1SMN1; SMN2
SCHEMBL18078100 0.79 AKT1 (0.48) OPRM1OPRD1OPRK1AKT1KMT2A
SCHEMBL13093320 0.75 MGLL (0.43) OPRM1OPRD1OPRK1AKT1TP53
SCHEMBL19116362 0.75 ALDH1A1 (0.43) OPRM1OPRD1OPRK1AKT1SMN1; SMN2
SCHEMBL15892775 0.73 HPGD (0.40) OPRM1OPRD1OPRK1AKT1TP53
SCHEMBL18103110 0.73 CACNA2D1 (0.51) CACNA2D1CACNA1CCACNB3PGRADRA1A
SCHEMBL22330370 0.73 CACNA2D1 (0.51) CACNA2D1CACNA1CCACNB3PGRADRA1A
SCHEMBL22330429 0.73 CACNA2D1 (0.51) CACNA2D1CACNA1CCACNB3PGRADRA1A
SCHEMBL17860045 0.72 PTGS1 (0.42) OPRM1OPRD1OPRK1AKT1TP53

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-20160266153-A1 IMMUNOASSAY FOR PREGABALIN RANDOX LABORATORIES LIMITED (GB) 2016-09-15 US disclosed
EP-3067700-A1 IMMUNOASSAY FOR PREGABALIN Randox Laboratories Ltd. (GB) 2016-09-14 EP 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-20160266153-A1 IMMUNOASSAY FOR PREGABALIN GABRG1, GABRG3, GABRG2 CACNA2D1 84/4885CACNA1C 106/4885CACNB3 27/4885

“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.