SCHEMBL261441

SCHEMBL261441

CCOC(=O)C(C(=O)O)[C@@H](C#N)CC(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 6/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 2/20 0.33
RNPEP Q9H4A4 1/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.33
SLC7A5 Q01650 1/20 0.33
POLB P06746 1/20 0.32
CPA1 P15085 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
NPC1 O15118 1/20 0.31
CTSK P43235 1/20 0.31
TP53 P04637 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
SCHEMBL3467830 1.00 HTT (0.35) HTTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL260952 1.00 HTT (0.35) HTTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL263453 1.00 HTT (0.35) HTTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL262272 1.00 HTT (0.35) HTTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL2920755 0.98 HTT (0.34) HTTLMNAALDH1A1SMN1; SMN2KMT2A
Potassium SCHEMBL2920764 0.98 HTT (0.34) HTTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL262101 0.98 HTT (0.34) HTTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL2637568 0.98 HTT (0.34) HTTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL261928 0.98 HTT (0.34) HTTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL261165 0.91 LMNA (0.37) HTTLMNAALDH1A1SMN1; SMN2KMT2A

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 31 patents — showing the first 20. 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
US-10023885-B2 Process for the preparation of pregabalin HIKAL LIMITED (IN) 2018-07-17 US disclosed
US-20150344919-A1 PROCESS FOR THE PREPARATION OF PREGABALIN HIKAL LIMITED (IN) 2015-12-03 US disclosed
US-20150344919-A1 PROCESS FOR THE PREPARATION OF PREGABALIN HIKAL LIMITED (IN) 2015-12-03 US disclosed
WO-2014072785-A2 A PROCESS FOR THE PREPARATION OF PREGABALIN HIKAL LIMITED (IN) 2014-05-15 WO disclosed
US-8134023-B2 Preparation of pregabalin and related compounds PFIZER INC (US) 2012-03-13 US 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-20120015412-A1 Preparation of Pregabalin and Related Compounds PFIZER INC 2012-01-19 US disclosed
US-20090143615-A1 Process for the Preparation of (S)(+)-3-(Aminomethyl)-5-Methylhexanoic Acid DIPHARMA FRANCIS S.R.L. (IT) 2009-06-04 US disclosed
US-20090042262-A1 Preparation of Pregabalin and Related Compounds PFIZER INC 2009-02-12 US disclosed
US-20090042262-A1 Preparation of Pregabalin and Related Compounds PFIZER INC 2009-02-12 US disclosed
US-20090042262-A1 Preparation of Pregabalin and Related Compounds PFIZER INC 2009-02-12 US disclosed
US-20080311635-A1 PROCESS FOR THE PREPARATION OF (S)(+)-3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID DIPHARMA FRANCIS S.R.L. (IT) 2008-12-18 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
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-20080311635-A1 PROCESS FOR THE PREPARATION OF (S)(+)-3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID ADH5, ALDH7A1, ADH1C HTT 4536/4885LMNA 2332/4885ALDH1A1 106/4885
US-20090143615-A1 Process for the Preparation of (S)(+)-3-(Aminomethyl)-5-Methylhexanoic Acid HPD, ALKBH5, PAH HTT 2546/4885LMNA 2408/4885ALDH1A1 142/4885
US-20090042262-A1 Preparation of Pregabalin and Related Compounds GABRE, GABRG1, GABRA6 HTT 3176/4885LMNA 1702/4885ALDH1A1 786/4885
US-20050283023-A1 Preparation of pregabalin and related compounds GABRE, GABRG1, GABRA6 HTT 3176/4885LMNA 1702/4885ALDH1A1 786/4885
US-10023885-B2 Process for the preparation of pregabalin CHRNA6, CHRNA9, ADH5 HTT 2484/4885LMNA 1468/4885ALDH1A1 214/4885

“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.