Pregabalin

Pregabalin

SCHEMBL3668928

CC(C)C[C@H](CN)CC(=O)O.O=S(=O)(O)c1ccccc1

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8

The experimentally established mechanism targets of Pregabalin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA2D1 known ✓ P54289 2/20 0.63
CACNB3 known ✓ P54284 1/20 0.63
CACNA1C known ✓ Q13936 1/20 0.63
CACNA2D2 known ✓ Q9NY47 1/20 0.63
PGR P06401 1/20 0.63
ADRA1A P35348 1/20 0.63
HTR2B P41595 1/20 0.63
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LARS1 Q9P2J5 2/20 0.45
GABBR2 O75899 1/20 0.44
GABBR1 Q9UBS5 1/20 0.44
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
ADAMTS4 O75173 1/20 0.37

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
Pregabalin SCHEMBL3667735 0.89 CACNA2D1 (0.59) CACNA2D1CACNB3CACNA1CPGRADRA1A
Pregabalin SCHEMBL3672687 0.83 CACNA2D1 (0.73) CACNA2D1CACNB3CACNA1CPGRADRA1A
Pregabalin SCHEMBL3667736 0.83 CACNA2D1 (0.85) CACNA2D1CACNB3CACNA1CPGRADRA1A
Pregabalin SCHEMBL3672469 0.81 CACNA2D1 (0.81) CACNA2D1CACNB3CACNA1CPGRADRA1A
Pregabalin SCHEMBL3667738 0.80 CACNA2D1 (0.63) CACNA2D1CACNB3CACNA1CPGRADRA1A
Pregabalin SCHEMBL15497 0.79 CACNA2D1 (1.00) CACNA2D1CACNB3CACNA1CPGRADRA1A
Pregabalin SCHEMBL263450 0.79 CACNA2D1 (1.00) CACNA2D1CACNB3CACNA1CPGRADRA1A
Pregabalin SCHEMBL27754092 0.79 CACNA2D1 (1.00) CACNA2D1CACNB3CACNA1CPGRADRA1A
Pregabalin SCHEMBL2370227 0.79 CACNA2D1 (1.00) CACNA2D1CACNB3CACNA1CPGRADRA1A
Pregabalin SCHEMBL1561104 0.79 CACNA2D1 (1.00) CACNA2D1CACNB3CACNA1CPGRADRA1A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242737-A1 PREGABALIN SALTS Synthon B.V. (NL) 2010-10-27 EP claimed
WO-2009080365-A1 PREGABALIN SALTS SYNTHON B.V. (NL) 2009-07-02 WO claimed
US-20090170945-A1 PREGABALIN SALTS SYNTHON BV (NL) 2009-07-02 US claimed
US-20240000727-A1 STABLE COATED SOLID PHARMACEUTICAL COMPOSITION OF AN OPIOID ANALGESIC AND AN ANTI-EPILEPTIC FOR PAIN LABORATORIOS SILANES S.A. DE C.V. (MX) 2024-01-04 US disclosed
EP-4230199-A1 STABLE COATED SOLID PHARMACEUTICAL COMPOSITION OF AN OPIOID ANALGESIC AND AN ANTI-EPILEPTIC FOR PAIN Laboratorios Silanes, S.A. de C.V. (MX) 2023-08-23 EP disclosed
US-20200222544-A1 LINEAR POLYSACCHARIDE BASED FILM PRODUCTS AQUESTIVE THERAPEUTICS, INC. 2020-07-16 US disclosed
US-20180280518-A1 LINEAR POLYSACCHARIDE BASED FILM PRODUCTS AQUESTIVE THERAPEUTICS, INC. 2018-10-04 US disclosed
US-20170360942-A1 LINEAR POLYSACCHARIDE BASED FILM PRODUCTS MONOSOL RX, INC. 2017-12-21 US disclosed
EP-2242737-A1 PREGABALIN SALTS Synthon B.V. (NL) 2010-10-27 EP disclosed
WO-2010115612-A2 PREGABALIN COMPOSITIONS SYNTHON B.V. (NL) 2010-10-14 WO disclosed
WO-2009080365-A1 PREGABALIN SALTS SYNTHON B.V. (NL) 2009-07-02 WO disclosed
US-20090170945-A1 PREGABALIN SALTS SYNTHON BV (NL) 2009-07-02 US disclosed
US-20090170945-A1 PREGABALIN SALTS SYNTHON BV (NL) 2009-07-02 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-20090170945-A1 PREGABALIN SALTS GABRG2, SLC6A13, GABRG1 CACNA2D1 136/4885CACNB3 116/4885CACNA1C 96/4885
US-20240000727-A1 STABLE COATED SOLID PHARMACEUTICAL COMPOSITION OF AN OPIOID ANALGESIC AND AN ANTI-EPILEPTIC FOR PAIN OPRD1, TRPV1, OPRK1 CACNA2D1 185/4885CACNB3 116/4885CACNA1C 26/4885

“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.