SCHEMBL262006

SCHEMBL262006

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.48
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 0.43
SLC1A3 P43003 3/20 0.42
SLC1A2 P43004 3/20 0.42
GABRR1 P24046 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CPA1 P15085 2/20 0.35
SLC1A1 P43005 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
LAP3 P28838 3/20 0.35
ANPEP P15144 1/20 0.35

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
SCHEMBL262005 1.00 SLC7A5 (0.48) SLC7A5CACNA2D1CACNB3CACNA1CPGR
SCHEMBL20953995 0.85 RNPEP (0.50) SLC7A5CACNA2D1CACNB3CACNA1CPGR
SCHEMBL12344527 0.82 SLC7A5 (0.48) SLC7A5CACNA2D1CACNB3CACNA1CPGR
SCHEMBL15710292 0.76 GABRR1 (0.36) SLC7A5CACNA2D1CACNB3CACNA1CPGR
SCHEMBL18992175 0.72 CACNA2D1 (0.42) SLC7A5CACNA2D1CACNB3CACNA1CPGR
SCHEMBL2824755 0.72 GRIK1 (0.40) SLC7A5RNPEPSLC1A3SLC1A2ALDH1A1
SCHEMBL29950790 0.71 SLC1A3 (0.61) SLC7A5CACNA2D1CACNB3CACNA1CPGR
SCHEMBL1058202 0.71 SLC1A3 (0.61) SLC7A5CACNA2D1CACNB3CACNA1CPGR
SCHEMBL4738612 0.71 SLC1A3 (0.61) SLC7A5CACNA2D1CACNB3CACNA1CPGR
SCHEMBL1409156 0.71 CPA1 (0.61) SLC7A5RNPEPSLC1A3SLC1A2ALDH1A1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831154-B1 PREPARATION OF PREGABALIN AND RELATED COMPOUNDS WARNER LAMBERT CO (US) 2010-01-13 EP claimed
US-20090042262-A1 Preparation of Pregabalin and Related Compounds PFIZER INC 2009-02-12 US claimed
EP-1831154-A2 PREPARATION OF PREGABALIN AND RELATED COMPOUNDS Warner-Lambert Company LLC (US) 2007-09-12 EP claimed
WO-2006000904-A2 PREPARATION OF PREGABALIN AND RELATED COMPOUNDS WARNER-LAMBERT COMPANY LLC (US) 2006-01-05 WO claimed
US-20050283023-A1 Preparation of pregabalin and related compounds HU SHANGHUI 2005-12-22 US claimed
US-8134023-B2 Preparation of pregabalin and related compounds PFIZER INC (US) 2012-03-13 US disclosed
US-20120015412-A1 Preparation of Pregabalin and Related Compounds PFIZER INC 2012-01-19 US disclosed
US-8044227-B2 Preparation of pregabalin and related compounds PFIZER INC. (US) 2011-10-25 US disclosed
US-20110245508-A1 Processes For Making Pregabalin And Intermediates Therefor THIJS LAMBERTUS 2011-10-06 US disclosed
US-20110245508-A1 Processes For Making Pregabalin And Intermediates Therefor THIJS LAMBERTUS 2011-10-06 US disclosed
US-20110065168-A1 Preparation of Pregabalin and Related Compounds PFIZER INC 2011-03-17 US disclosed
US-7838686-B2 Preparation of pregabalin and related compounds PFIZER INC. (US) 2010-11-23 US disclosed
EP-1831154-B1 PREPARATION OF PREGABALIN AND RELATED COMPOUNDS WARNER LAMBERT CO (US) 2010-01-13 EP disclosed
US-20090312560-A1 PROCESSES FOR MAKING PREGABALIN AND INTERMEDIATES THEREFOR SYNTHON BV (NL) 2009-12-17 US 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
US-20090042262-A1 Preparation of Pregabalin and Related Compounds PFIZER INC 2009-02-12 US disclosed
EP-1831154-A2 PREPARATION OF PREGABALIN AND RELATED COMPOUNDS Warner-Lambert Company LLC (US) 2007-09-12 EP disclosed
WO-2006000904-A2 PREPARATION OF PREGABALIN AND RELATED COMPOUNDS WARNER-LAMBERT COMPANY LLC (US) 2006-01-05 WO disclosed
US-20050283023-A1 Preparation of pregabalin and related compounds HU SHANGHUI 2005-12-22 US 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 (5 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-20090042262-A1 Preparation of Pregabalin and Related Compounds GABRE, GABRG1, GABRA6 SLC7A5 1853/4885CACNA2D1 148/4885CACNB3 118/4885
US-20050283023-A1 Preparation of pregabalin and related compounds GABRE, GABRG1, GABRA6 SLC7A5 1853/4885CACNA2D1 148/4885CACNB3 118/4885
US-20110245508-A1 Processes For Making Pregabalin And Intermediates Therefor GABRB2, GABRB1, GABRB3 SLC7A5 2553/4885CACNA2D1 638/4885CACNB3 378/4885
US-20110065168-A1 Preparation of Pregabalin and Related Compounds GABRE, GABRG1, GABRA6 SLC7A5 1853/4885CACNA2D1 148/4885CACNB3 118/4885
US-20090312560-A1 PROCESSES FOR MAKING PREGABALIN AND INTERMEDIATES THEREFOR GABRB2, GABRB1, GABRB3 SLC7A5 2553/4885CACNA2D1 638/4885CACNB3 378/4885

“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.