SCHEMBL665555

SCHEMBL665555

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.59
CACNB3 P54284 1/20 0.59
CACNA1C Q13936 1/20 0.59
PGR P06401 1/20 0.59
ADRA1A P35348 1/20 0.59
HTR2B P41595 1/20 0.59
CACNA2D2 Q9NY47 1/20 0.59
FOLH1 Q04609 2/20 0.36
RNPEP Q9H4A4 1/20 0.35
SLC7A5 Q01650 1/20 0.35
MME P08473 2/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
LAP3 P28838 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.32
ALDH1A1 P00352 2/20 0.31
SLC1A3 P43003 1/20 0.31

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
SCHEMBL27910196 0.91 CACNA2D1 (0.50) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1410027 0.87 CACNA2D1 (0.74) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL665175 0.86 CACNA2D1 (0.57) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4194017 0.86 CACNA2D1 (0.57) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL664788 0.86 CACNA2D1 (0.57) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL13990312 0.84 CACNA2D1 (0.55) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4890230 0.82 CACNA2D1 (0.53) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3291702 0.82 CACNA2D1 (0.53) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL15969817 0.82 CACNA2D1 (0.53) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3291696 0.82 CACNA2D1 (0.53) 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 131 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120084903-A Method for detecting related substances in 3-isobutyl glutaric anhydride 河北圣雪大成制药有限责任公司 2025-06-03 CN claimed
CN-120037202-A Lipid nanoparticle based on cationic lipid with branched structure at junction and application of lipid nanoparticle 浙江大学 2025-05-27 CN claimed
CN-118702912-A Preparation method of spontaneously degradable cyclic poly (ester-peptide), product and degradation method thereof 浙江大学 2024-09-27 CN claimed
CN-118271586-A Method for synthesizing polyester by ionic liquid catalysis 福州大学 2024-07-02 CN claimed
CN-118271570-A Preparation method of organic phosphine-terminated non-conjugated oxygen-enriched fluorescent polymer, and product and application thereof 浙江大学 2024-07-02 CN claimed
CN-116143743-A Preparation process and preparation device of 3-isobutyl glutaric anhydride 太仓市茜泾化工有限公司 2023-05-23 CN claimed
CN-116084181-A Flexible stab-resistant and bulletproof textile and manufacturing method thereof 西京学院 2023-05-09 CN claimed
CN-112280431-A Heating coating containing carbon nano tube and having positive temperature coefficient effect and preparation method thereof 华碳创新(广东)材料技术有限公司 2021-01-29 CN claimed
CN-105085302-B Pregabalin intermediate mother liquor and wastewater reuse method 浙江华海药业股份有限公司 2020-09-15 CN claimed
EP-3275860-B1 METHOD FOR PREPARING PREGABALIN INTERMEDIATE 3-CARBAMOYMETHYL-5-METHYLHEXANOIC ACID WITHOUT SOLVENT ZHEJIANG HUAHAI PHARM CO LTD (CN) 2020-02-26 EP claimed
US-20120277437-A1 KINETIC RESOLUTION THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY (IE) 2012-11-01 US claimed
WO-2012093411-A2 PROCESS FOR THE PREPARATION OF R-(-)-3- (CARBAMOYLMETHYL)-5-METHYLHEXANOIC ACID AND THE INTERMEDIATES DR BRAJA SUNDAR PRADHAN (IN) 2012-07-12 WO claimed
US-20120046468-A1 INTERMEDIATES IN THE ENANTIOSELECTIVE SYNTHESIS OF 3-(AMINOMETHYL)-5-METHYL-HEXANOIC ACID THE PROVOST,FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY LAND AND UNDIVIDED TRINITY OF QUEEN ELIZ (IE) 2012-02-23 US claimed
EP-2332895-A1 Kinetic Resolution The Provost, Fellows and Scholars of the College of the Holy and Undivided Trinity of Queen Elizabeth near Dublin (IE) 2011-06-15 EP claimed
EP-2213659-A1 Intermediates in the Enantioselective Synthesis of 3-(Aminomethyl)-5-Methyl-Hexanoic Acid The Provost, Fellows and Scholars of the College of the Holy and Undivided Trinity of Queen Elizabeth near Dublin (IE) 2010-08-04 EP claimed
EP-2019817-A2 PROCESSES FOR THE PREPARATION OF R-(+)-3-(CARBAMOYL METHYL)-5-METHYLHEXANOIC ACID AND SALTS THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-02-04 EP claimed
WO-2009004643-A2 AN IMPROVED PROCESS FOR PREPARATION OF (S)-PREGABALIN AND INTERMEDIATES THEREOF CADILA HEALTHCARE LIMITED (IN) 2009-01-08 WO 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
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

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

For each of this compound's patents that has machine-readable text (3 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-20120277437-A1 KINETIC RESOLUTION SPR, ADH5, ADH1C CACNA2D1 4724/4885CACNB3 2975/4885CACNA1C 3442/4885
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
US-20120046468-A1 INTERMEDIATES IN THE ENANTIOSELECTIVE SYNTHESIS OF 3-(AMINOMETHYL)-5-METHYL-HEXANOIC ACID FAAH, ALDH7A1, GABRE CACNA2D1 1001/4885CACNB3 1586/4885CACNA1C 1293/4885

“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.