SCHEMBL4746046

SCHEMBL4746046

CC(C)CC(C=O)CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.47
CACNB3 P54284 1/20 0.47
CACNA1C Q13936 1/20 0.47
PGR P06401 1/20 0.47
ADRA1A P35348 1/20 0.47
HTR2B P41595 1/20 0.47
CACNA2D2 Q9NY47 1/20 0.47
RNPEP Q9H4A4 1/20 0.38
SLC7A5 Q01650 1/20 0.38
MME P08473 2/20 0.37
SLC22A6 Q4U2R8 1/20 0.35
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
PLA2G10 O15496 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 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
SCHEMBL4746043 1.00 CACNA2D1 (0.47) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL16135518 1.00 CACNA2D1 (0.47) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL7531470 0.84 CACNA2D1 (0.36) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL28186788 0.83 GABRP (0.40) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL12447855 0.80 CACNA2D1 (0.45) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL27679696 0.80 SLC22A6 (0.45) CACNA2D1CACNB3CACNA1CSLC22A6ALDH1A1
SCHEMBL4746539 0.78 CA2 (0.54) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL276530 0.77 TSHR (0.36) RNPEPSLC7A5ALDH1A1SMN1; SMN2
SCHEMBL4748897 0.77 TSHR (0.36) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL20656600 0.77 CACNA2D1 (0.47) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118772033-A Synthesis method of pregabalin trimer 中国科学院成都生物研究所 2024-10-15 CN claimed
CN-118772033-A Synthesis method of pregabalin trimer 中国科学院成都生物研究所 2024-10-15 CN disclosed
CN-118772033-A Synthesis method of pregabalin trimer 中国科学院成都生物研究所 2024-10-15 CN disclosed
CN-105408325-B cyanotriazole compounds 大塚制药株式会社 2019-10-22 CN disclosed
EP-3216863-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PREGABALIN PFIZER IRELAND PHARMACEUTICALS (IE) 2017-09-13 EP disclosed
EP-3216863-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PREGABALIN PFIZER IRELAND PHARMACEUTICALS (IE) 2017-09-13 EP disclosed
EP-2978748-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PREGABALIN PFIZER IRELAND PHARMACEUTICALS (IE) 2017-05-10 EP disclosed
EP-2978748-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PREGABALIN PFIZER IRELAND PHARMACEUTICALS (IE) 2017-05-10 EP disclosed
WO-2016075082-A1 STEREOSELECTIVE REDUCTIVE AMINATION OF ALPHA-CHIRAL ALDEHYDES USING OMEGA-TRANSAMINASES FOR THE SYNTHESIS OF PRECURSORS OF PREGABALIN AND BRIVARACETAM SANDOZ AG (CH) 2016-05-19 WO disclosed
WO-2016075082-A1 STEREOSELECTIVE REDUCTIVE AMINATION OF ALPHA-CHIRAL ALDEHYDES USING OMEGA-TRANSAMINASES FOR THE SYNTHESIS OF PRECURSORS OF PREGABALIN AND BRIVARACETAM SANDOZ AG (CH) 2016-05-19 WO disclosed
EP-2978748-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PREGABALIN Pfizer Ireland Pharmaceuticals (IE) 2016-02-03 EP disclosed
US-20160024540-A1 Process and Intermediates for the Preparation of Pregabalin PFIZER INC 2016-01-28 US disclosed
US-20160024540-A1 Process and Intermediates for the Preparation of Pregabalin PFIZER INC 2016-01-28 US disclosed
US-20160024540-A1 Process and Intermediates for the Preparation of Pregabalin PFIZER INC 2016-01-28 US disclosed
WO-2014155291-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PREGABALIN PFIZER IRELAND PHARMACEUTICALS (IE) 2014-10-02 WO disclosed
WO-2014155291-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PREGABALIN PFIZER IRELAND PHARMACEUTICALS (IE) 2014-10-02 WO disclosed
WO-2008127646-A2 TRANSAMINASE-BASED PROCESSES FOR PREPARATION OF PREGABALIN DSM IP ASSETS B.V. (NL) 2008-10-23 WO 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-20160024540-A1 Process and Intermediates for the Preparation of Pregabalin GABRE, GABRG1, GABRG2 CACNA2D1 328/4885CACNB3 325/4885CACNA1C 104/4885

“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.