SCHEMBL261165

SCHEMBL261165

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
HTT P42858 2/20 0.37
ALDH1A1 P00352 7/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 2/20 0.36
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
NPC1 O15118 1/20 0.33
CTSK P43235 1/20 0.33
TP53 P04637 1/20 0.33
HSD17B10 Q99714 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
CYP2C9 P11712 1/20 0.32
PPID Q08752 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
SCHEMBL2637205 1.00 LMNA (0.37) LMNAHTTALDH1A1TSHRKMT2A
SCHEMBL261164 1.00 LMNA (0.37) LMNAHTTALDH1A1TSHRKMT2A
SCHEMBL260952 0.91 HTT (0.35) LMNAHTTALDH1A1TSHRKMT2A
SCHEMBL262272 0.91 HTT (0.35) LMNAHTTALDH1A1TSHRKMT2A
SCHEMBL3467830 0.91 HTT (0.35) LMNAHTTALDH1A1TSHRKMT2A
SCHEMBL263453 0.91 HTT (0.35) LMNAHTTALDH1A1TSHRKMT2A
SCHEMBL12447852 0.91 SMN1; SMN2 (0.39) LMNAHTTALDH1A1TSHRKMT2A
SCHEMBL261441 0.91 HTT (0.35) LMNAHTTALDH1A1TSHRKMT2A
SCHEMBL2920755 0.90 HTT (0.34) LMNAHTTALDH1A1TSHRKMT2A
SCHEMBL262101 0.90 HTT (0.34) LMNAHTTALDH1A1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112939809-A Preparation method of 1-cyano-3-methyl diethyl butylmalonate 江苏恒沛药物科技有限公司 2021-06-11 CN claimed
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
CN-112939809-A Preparation method of 1-cyano-3-methyl diethyl butylmalonate 江苏恒沛药物科技有限公司 2021-06-11 CN disclosed
WO-2021105742-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF PREGABALIN HIKAL LIMITED (IN) 2021-06-03 WO disclosed
WO-2020183376-A1 GREENER AND ECONOMIC PROCESS FOR PREPARATION OF PREGABALIN HIKAL LIMITED (IN) 2020-09-17 WO disclosed
EP-2916832-B1 A PROCESS FOR THE PREPARATION OF PREGABALIN HIKAL LTD (IN) 2019-01-16 EP disclosed
US-10023885-B2 Process for the preparation of pregabalin HIKAL LIMITED (IN) 2018-07-17 US disclosed
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-20090042262-A1 Preparation of Pregabalin and Related Compounds PFIZER INC 2009-02-12 US disclosed
JP-2009022272-A PRODUCTION OF PREGABALIN AND RELATED COMPOUND WARNER-LAMBERT CO LLC 2009-02-05 JP 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
WO-2008062460-A2 CRYSTALLINE FORMS OF PREGABALIN CADILA HEALTHCARE LIMITED (IN) 2008-05-29 WO 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 (4 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 LMNA 2332/4885HTT 4536/4885ALDH1A1 106/4885
US-20090042262-A1 Preparation of Pregabalin and Related Compounds GABRE, GABRG1, GABRA6 LMNA 1702/4885HTT 3176/4885ALDH1A1 786/4885
US-20050283023-A1 Preparation of pregabalin and related compounds GABRE, GABRG1, GABRA6 LMNA 1702/4885HTT 3176/4885ALDH1A1 786/4885
US-10023885-B2 Process for the preparation of pregabalin CHRNA6, CHRNA9, ADH5 LMNA 1468/4885HTT 2484/4885ALDH1A1 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.