SCHEMBL1409156

SCHEMBL1409156

CC(C)CC(C[N+](=O)[O-])C(C(=O)O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 5/20 0.61
RNPEP Q9H4A4 1/20 0.38
SLC7A5 Q01650 1/20 0.38
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 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
SCHEMBL5245266 0.87 CPA1 (0.51) CPA1ALDH1A1LMNA
SCHEMBL4311206 0.85 CPA1 (0.54) CPA1RNPEPSLC7A5ALDH1A1KMT2A
SCHEMBL4311209 0.85 CPA1 (0.54) CPA1RNPEPSLC7A5ALDH1A1KMT2A
SCHEMBL13567330 0.85 CPA1 (0.52) CPA1
SCHEMBL14042757 0.80 CPA1 (0.47) CPA1ALDH1A1POLBLMNA
SCHEMBL1116701 0.80 CPA1 (0.47) CPA1ALDH1A1POLBLMNA
SCHEMBL20659547 0.80 CPA1 (0.46) CPA1ALDH1A1KMT2AMEN1LMNA
SCHEMBL1427009 0.79 CPA1 (0.50) CPA1ALDH1A1KMT2ALMNA
SCHEMBL5163506 0.79 CPA1 (0.50) CPA1ALDH1A1KMT2ALMNA
SCHEMBL20953995 0.79 RNPEP (0.50) CPA1RNPEPSLC7A5ALDH1A1KMT2A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2294207-A2 PROCESS FOR THE STEREOSELECTIVE ENZYMATIC HYDROLYSIS OF 5-METHYL-3-NITROMETHYL-HEXANOIC ACID ESTER Sandoz AG (CH) 2011-03-16 EP claimed
WO-2009141362-A2 PROCESS FOR THE STEREOSELECTIVE ENZYMATIC HYDROLYSIS OF 5-METHYL-3-NITROMETHYL-HEXANOIC ACID ESTER SANDOZ AG (CH) 2009-11-26 WO claimed
EP-3154930-B1 METHOD FOR THE PREPARATION OF BETA-SUBSTITUTED GAMMA-AMINO CARBOXYLIC ACIDS SIEGFRIED LTD (CH) 2018-04-18 EP disclosed
US-9745249-B2 Method for the preparation of beta-substituted gamma-amino carboxylic acids SIEGFRIED LTD. (CH) 2017-08-29 US disclosed
US-9745249-B2 Method for the preparation of beta-substituted gamma-amino carboxylic acids SIEGFRIED LTD. (CH) 2017-08-29 US disclosed
US-9745249-B2 Method for the preparation of beta-substituted gamma-amino carboxylic acids SIEGFRIED LTD. (CH) 2017-08-29 US disclosed
US-20170114003-A1 METHOD FOR THE PREPARATION OF BETA-SUBSTITUTED GAMMA-AMINO CARBOXYLIC ACIDS SIEGFRIED LTD. (CH) 2017-04-27 US disclosed
US-20170114003-A1 METHOD FOR THE PREPARATION OF BETA-SUBSTITUTED GAMMA-AMINO CARBOXYLIC ACIDS SIEGFRIED LTD. (CH) 2017-04-27 US disclosed
US-20170114003-A1 METHOD FOR THE PREPARATION OF BETA-SUBSTITUTED GAMMA-AMINO CARBOXYLIC ACIDS SIEGFRIED LTD. (CH) 2017-04-27 US disclosed
EP-3154930-A1 METHOD FOR THE PREPARATION OF BETA-SUBSTITUTED GAMMA-AMINO CARBOXYLIC ACIDS Siegfried Ltd. (CH) 2017-04-19 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
US-8546112-B2 Process for the stereoselective enzymatic hydrolysis of 5-methyl-3-nitromethyl-hexanoic acid ester SANDOZ AG (CH) 2013-10-01 US disclosed
EP-2294207-B1 Process for the stereoselective enzymatic hydrolysis of 5-methyl-3-nitromethyl-hexanoic acid ester SANDOZ AG (CH) 2012-09-26 EP disclosed
US-20110245508-A1 Processes For Making Pregabalin And Intermediates Therefor THIJS LAMBERTUS 2011-10-06 US disclosed
US-20110165636-A1 PROCESS FOR THE STEREOSELECTIVE ENZYMATIC HYDROLYSIS OF 5-METHYL-3-NITROMETHYL-HEXANOIC ACID ESTER SANDOZ AG (CH) 2011-07-07 US disclosed
EP-2300416-A1 PROCESSES FOR MAKING PREGABALIN AND INTERMEDIATES THEREFOR Synthon B.V. (NL) 2011-03-30 EP disclosed
EP-2294207-A2 PROCESS FOR THE STEREOSELECTIVE ENZYMATIC HYDROLYSIS OF 5-METHYL-3-NITROMETHYL-HEXANOIC ACID ESTER Sandoz AG (CH) 2011-03-16 EP disclosed
US-20090312560-A1 PROCESSES FOR MAKING PREGABALIN AND INTERMEDIATES THEREFOR SYNTHON BV (NL) 2009-12-17 US disclosed
WO-2009149928-A1 PROCESSES FOR MAKING PREGABALIN AND INTERMEDIATES THEREFOR SYNTHON B.V. (NL) 2009-12-17 WO disclosed
WO-2009141362-A2 PROCESS FOR THE STEREOSELECTIVE ENZYMATIC HYDROLYSIS OF 5-METHYL-3-NITROMETHYL-HEXANOIC ACID ESTER SANDOZ AG (CH) 2009-11-26 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 (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-20170114003-A1 METHOD FOR THE PREPARATION OF BETA-SUBSTITUTED GAMMA-AMINO CARBOXYLIC ACIDS GLUL, GABRB2, GABRB1 CPA1 2759/4885RNPEP 1697/4885SLC7A5 210/4885
US-20110245508-A1 Processes For Making Pregabalin And Intermediates Therefor GABRB2, GABRB1, GABRB3 CPA1 3552/4885RNPEP 3774/4885SLC7A5 2553/4885
US-20090312560-A1 PROCESSES FOR MAKING PREGABALIN AND INTERMEDIATES THEREFOR GABRB2, GABRB1, GABRB3 CPA1 3552/4885RNPEP 3774/4885SLC7A5 2553/4885

“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.