SCHEMBL664076

SCHEMBL664076

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

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.67
CACNB3 P54284 1/20 0.67
CACNA1C Q13936 1/20 0.67
PGR P06401 1/20 0.67
ADRA1A P35348 1/20 0.67
HTR2B P41595 1/20 0.67
CACNA2D2 Q9NY47 1/20 0.67
SLC7A5 Q01650 1/20 0.41
ECE1 P42892 1/20 0.37
RNPEP Q9H4A4 1/20 0.37
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
MME P08473 2/20 0.36
GABRR1 P24046 2/20 0.33
LAP3 P28838 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL664033 1.00 CACNA2D1 (0.67) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL664074 1.00 CACNA2D1 (0.67) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL8829767 1.00 CACNA2D1 (0.67) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL9105209 0.91 CACNA2D1 (0.52) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1410027 0.89 CACNA2D1 (0.74) CACNA2D1CACNB3CACNA1CPGRADRA1A
Benzene SCHEMBL27913108 0.88 CACNA2D1 (0.58) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4659755 0.86 CACNA2D1 (0.52) CACNA2D1CACNB3CACNA1CPGRADRA1A
Ethyl Acetate SCHEMBL28029630 0.85 CACNA2D1 (0.50) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4412290 0.84 CACNA2D1 (0.74) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL12575347 0.83 CACNA2D1 (0.62) 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 652 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122059958-A Synthesis method of intermediate impurity of riliebactam 重庆圣华曦药业股份有限公司 2026-05-19 CN claimed
US-20260132100-A1 Method for Purifying Pregabalin ZHEJIANG HUAHAI PHARMACEUTICAL CO LTD (CN) 2026-05-14 US claimed
CN-117285402-B Pregabalin of Process for the preparation of intermediates 常州大学 2025-05-09 CN claimed
US-20250043323-A1 BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF PREGABALIN INTERMEDIATES Enzymaster (Ningbo) Bio-Engineering Co., Ltd (CN) 2025-02-06 US claimed
CN-114164198-B (R) - (-) -3- (carbamoylmethyl) -5-methylhexanoic acid synthetic protein, mutant and application thereof 中国科学院微生物研究所 2025-01-07 CN claimed
CN-109761838-B Method for preparing pregabalin intermediate and recovering resolving agent 浙江华海药业股份有限公司 2024-12-31 CN claimed
CN-118994150-A Preparation method of intermediate of riliebatan 中山奕安泰医药科技有限公司 2024-11-22 CN claimed
CN-118649691-A Modified Raney nickel catalyst for synthesizing pregabalin intermediate II and preparation method thereof 浙江普洛家园药业有限公司 2024-09-17 CN claimed
CN-118652187-A Synthetic method of pregabalin intermediate II 浙江普洛家园药业有限公司 2024-09-17 CN claimed
EP-4424664-A1 METHOD FOR PURIFYING PREGABALIN Zhejiang Huahai Pharmaceutical Co., Ltd. (CN) 2024-09-04 EP claimed
US-20070287859-A1 Optical resolution of 3-carbamoylmethyl-5-methyl hexanoic acid HEDVATI LILACH 2007-12-13 US claimed
US-20070287748-A1 Optical resolution of-3-carbamoylmethyl-5-methyl hexanoic acid HEDVATI LILACH 2007-12-13 US claimed
WO-2007139933-A2 PROCESSES FOR THE PREPARATION OF R-(+)-3-(CARBAMOYL METHYL)-5-METHYLHEXANOIC ACID AND SALTS THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-12-06 WO claimed
US-20070043241-A1 Optical resolution of 3-carbamoylmethyl-5-methylhexanoic acid TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-02-22 US claimed
WO-2006122259-A1 OPTICAL RESOLUTION OF 3-CARBAMOYLMETHYL-5-METHYL HEXANOIC ACID TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2006-11-16 WO claimed
EP-0828704-B1 METHODS OF MAKING (S)-3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID WARNER LAMBERT CO (US) 2002-03-13 EP claimed
EP-0828704-A1 METHODS OF MAKING (S)-3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID WARNER-LAMBERT COMPANY (US) 1998-03-18 EP claimed
US-5629447-A Methods of making (S)-3-(aminomethyl)-5-methylhexanoic acid WARNER-LAMBERT COMPANY (US) 1997-05-13 US claimed
US-5616793-A Methods of making (S)-3-(aminomethyl)-5-methylhexanoic acid WARNER-LAMBERT COMPANY (US) 1997-04-01 US claimed
WO-1996038405-A1 METHODS OF MAKING (S)-3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID WARNER-LAMBERT COMPANY (US) 1996-12-05 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20260132100-A1 Method for Purifying Pregabalin CACNG7, CACNG5, GABRB1 CACNA2D1 36/4885CACNB3 55/4885CACNA1C 6/4885
US-20070287748-A1 Optical resolution of-3-carbamoylmethyl-5-methyl hexanoic acid GRM3, GRHPR, GABRE CACNA2D1 292/4885CACNB3 114/4885CACNA1C 100/4885
US-20070287859-A1 Optical resolution of 3-carbamoylmethyl-5-methyl hexanoic acid GRM3, GRM6, GABRE CACNA2D1 326/4885CACNB3 128/4885CACNA1C 107/4885
US-20070043241-A1 Optical resolution of 3-carbamoylmethyl-5-methylhexanoic acid GABRE, GABRA5, GABRG3 CACNA2D1 251/4885CACNB3 109/4885CACNA1C 86/4885

“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.