SCHEMBL261498

SCHEMBL261498

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.41
SLC7A5 Q01650 1/20 0.41
ALDH1A1 P00352 2/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
CPA1 P15085 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
CTSS P25774 2/20 0.33
CTSK P43235 2/20 0.33
CACNA2D1 P54289 2/20 0.32
MAPT P10636 1/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32
CTSL P07711 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
SCHEMBL262500 1.00 RNPEP (0.41) RNPEPSLC7A5ALDH1A1SLC1A3SLC1A2
SCHEMBL263453 0.84 HTT (0.35) RNPEPSLC7A5ALDH1A1CPA1MEN1
SCHEMBL262272 0.84 HTT (0.35) RNPEPSLC7A5ALDH1A1CPA1MEN1
SCHEMBL3467830 0.84 HTT (0.35) RNPEPSLC7A5ALDH1A1CPA1MEN1
SCHEMBL261441 0.84 HTT (0.35) RNPEPSLC7A5ALDH1A1CPA1MEN1
SCHEMBL260952 0.84 HTT (0.35) RNPEPSLC7A5ALDH1A1CPA1MEN1
SCHEMBL8276004 0.83 RNPEP (0.41) RNPEPSLC7A5ALDH1A1SLC1A3SLC1A2
SCHEMBL15688388 0.83 RNPEP (0.41) RNPEPSLC7A5ALDH1A1SLC1A3SLC1A2
SCHEMBL2920755 0.82 HTT (0.34) RNPEPSLC7A5ALDH1A1CPA1MEN1
SCHEMBL262101 0.82 HTT (0.34) RNPEPSLC7A5ALDH1A1CPA1MEN1

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 17 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
US-20050283023-A1 Preparation of pregabalin and related compounds HU SHANGHUI 2005-12-22 US claimed
CN-216282250-U High-efficient cooling device is used in cyanogen diester production 沈阳东瑞精细化工有限公司 2022-04-12 CN disclosed
CN-215877356-U Multifunctional stirring device for producing cyanogen diester 沈阳东瑞精细化工有限公司 2022-02-22 CN disclosed
CN-215823010-U Solution dropwise adding device for producing cyanogen diester 沈阳东瑞精细化工有限公司 2022-02-15 CN disclosed
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-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
WO-2010070593-A2 MALONATE ESTERS PFIZER IRELAND PHARMACEUTICALS (IE) 2010-06-24 WO disclosed
EP-1831154-B1 PREPARATION OF PREGABALIN AND RELATED COMPOUNDS WARNER LAMBERT CO (US) 2010-01-13 EP 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 (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-20090042262-A1 Preparation of Pregabalin and Related Compounds GABRE, GABRG1, GABRA6 RNPEP 444/4885SLC7A5 1853/4885ALDH1A1 786/4885
US-20050283023-A1 Preparation of pregabalin and related compounds GABRE, GABRG1, GABRA6 RNPEP 444/4885SLC7A5 1853/4885ALDH1A1 786/4885
US-20110065168-A1 Preparation of Pregabalin and Related Compounds GABRE, GABRG1, GABRA6 RNPEP 444/4885SLC7A5 1853/4885ALDH1A1 786/4885

“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.