SCHEMBL664033

SCHEMBL664033

CC(C)C[C@H](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
SCHEMBL664076 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 486 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260132100-A1 Method for Purifying Pregabalin ZHEJIANG HUAHAI PHARMACEUTICAL CO LTD (CN) 2026-05-14 US claimed
CN-122012475-A Amide hydrolase mutant, biological material, screening method, catalyst and application 南京大学 2026-05-12 CN claimed
CN-116515800-B PaDP protein and application of mutant thereof in enzymatic synthesis of pregabalin chiral intermediate 中国科学院微生物研究所 2025-06-17 CN claimed
CN-119979516-A Dihydropyrimidinase mutant and application thereof in production of (R) -3- (carbamoylmethyl) -5-methylhexanoic acid 上海奥萝拉医药科技有限公司 2025-05-13 CN claimed
CN-119955872-A Synthetic protein of R- (-) -3- (carbamoylmethyl) -5-methylhexanoic acid, mutant and application thereof 中国科学院微生物研究所 2025-05-09 CN claimed
CN-119570777-A Preparation and application of immobilized hydantoin enzyme 宁波酶赛生物工程有限公司 2025-03-07 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
EP-4433602-A1 BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF PREGABALIN INTERMEDIATES Enzymaster (Ningbo) Bio-Engineering Co., Ltd. (CN) 2024-09-25 EP claimed
US-7462738-B2 Processes for the preparation of R-(+)-3-(carbamoyl methyl)-5-methylhexanoic acid and salts thereof TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-12-09 US claimed
WO-2008137512-A2 PROCESS FOR PREPARING PREGABALIN VIA HOFMANN REACTION AND CRYSTALLINE FORM THEREOF DR. REDDY'S LABORATORIES LTD. (IN) 2008-11-13 WO claimed
WO-2008004044-A1 PROCESS FOR THE PREPARATION OF (R)-(-)-3-(CARBAMOYLMETHYL)-5-METHYLHEXANOIC ACID AND OF PREGABALIN AND SYNTHESIS INTERMEDIATES LABORATORIO CHIMICO INTERNAZIONALE S.P.A. (IT) 2008-01-10 WO claimed
US-20070293694-A1 Processes for the preparation of R-(+)-3-(carbamoyl methyl)-5-methylhexanoic acid and salts thereof TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2007-12-20 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
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 (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-20260132100-A1 Method for Purifying Pregabalin CACNG7, CACNG5, GABRB1 CACNA2D1 36/4885CACNB3 55/4885CACNA1C 6/4885
US-20070293694-A1 Processes for the preparation of R-(+)-3-(carbamoyl methyl)-5-methylhexanoic acid and salts thereof RIMKLA, GABRE, GRIK5 CACNA2D1 245/4885CACNB3 63/4885CACNA1C 43/4885

“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.