SCHEMBL15937

SCHEMBL15937

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
ALDH1A1 P00352 7/20 0.36
TRPA1 O75762 1/20 0.36
TSHR P16473 3/20 0.35
CYP3A4 P08684 2/20 0.35
ALOX15 P16050 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
HSD17B10 Q99714 2/20 0.34
CHRM1 P11229 1/20 0.34
ADORA1 P30542 1/20 0.34
POLB P06746 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 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
SCHEMBL2637934 1.00 MGAM (0.39) MGAMGAASIMGAM2ALDH1A1
SCHEMBL261461 1.00 MGAM (0.39) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4381196 0.92 MGAM (0.35) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4375315 0.92 MGAM (0.35) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4390957 0.92 MGAM (0.35) MGAMGAASIMGAM2ALDH1A1
SCHEMBL15030939 0.87 GAA (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28247872 0.86 TAS1R3 (0.33) ALDH1A1HSD17B10POLBKDM4E
SCHEMBL4386597 0.86 GAA (0.36) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4392181 0.86 GAA (0.36) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4385798 0.86 GAA (0.36) MGAMGAASIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119776295-A Olefin reductase, coding gene, vector, engineering bacteria and application thereof 浙江工业大学 2025-04-08 CN claimed
WO-2011141923-A2 IMPROVED SYNTHESIS OF OPTICALLY PURE (S) - 3-CYANO-5-METHYL-HEXANOIC ACID ALKYL ESTER, AN INTERMEDIATE OF (S)- PREGABALIN LUPIN LIMITED (IN) 2011-11-17 WO claimed
CN-119776295-A Olefin reductase, coding gene, vector, engineering bacteria and application thereof 浙江工业大学 2025-04-08 CN disclosed
CN-116041214-A Preparation method and application of pregabalin intermediate 奥锐特药业股份有限公司 2023-05-02 CN disclosed
WO-2021105742-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF PREGABALIN HIKAL LIMITED (IN) 2021-06-03 WO disclosed
CN-108715881-B Method for regioselective and stereoselective biocatalytic synthesis of pregabalin chiral intermediate 浙江工业大学 2020-11-10 CN disclosed
WO-2020183376-A1 GREENER AND ECONOMIC PROCESS FOR PREPARATION OF PREGABALIN HIKAL LIMITED (IN) 2020-09-17 WO disclosed
CN-111333529-A Preparation method of pregabalin 北京万全德众医药生物技术有限公司 2020-06-26 CN disclosed
CN-106676084-B A kind of lipase mutant, encoding gene and its application from thermophilic ankle section bacterium 浙江工业大学 2019-11-29 CN disclosed
CN-106591258-B A kind of lipase gene, carrier, engineering bacteria and its application 新余学院 2019-06-04 CN disclosed
EP-2916832-B1 A PROCESS FOR THE PREPARATION OF PREGABALIN HIKAL LTD (IN) 2019-01-16 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
US-6891059-B2 Asymmetric synthesis of pregabalin WARNER-LAMBERT COMPANY (US) 2005-05-10 US disclosed
EP-1250311-B1 ASYMMETRIC SYNTHESIS OF PREGABALIN WARNER LAMBERT CO (US) 2004-03-17 EP disclosed
US-20030212290-A1 Asymmetric synthesis of pregabalin BURK MARK JOSEPH (US) 2003-11-13 US disclosed
EP-1250311-A1 ASYMMETRIC SYNTHESIS OF PREGABALIN WARNER-LAMBERT COMPANY (US) 2002-10-23 EP disclosed
US-20010016665-A1 METHOD OF MAKING (S)-3-(AMINOMETHYL) -5- METHYLHEXANOIC ACID GROTE TODD MICHEL (US) 2001-08-23 US disclosed
WO-2001055090-A1 ASYMMETRIC SYNTHESIS OF PREGABALIN WARNER-LAMBERT COMPANY (US) 2001-08-02 WO disclosed
US-5840956-A Method of making (S)-3-(Aminomethyl)-5-Methylhexanoic acid WARNER-LAMBERT COMPANY (US) 1998-11-24 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-20030212290-A1 Asymmetric synthesis of pregabalin GABRA5, GABRA6, GABRE MGAM 1223/4885GAA 3133/4885SI 1615/4885
US-20010016665-A1 METHOD OF MAKING (S)-3-(AMINOMETHYL) -5- METHYLHEXANOIC ACID APEH, CA6, ALKBH3 MGAM 280/4885GAA 975/4885SI 56/4885
US-20050283023-A1 Preparation of pregabalin and related compounds GABRE, GABRG1, GABRA6 MGAM 136/4885GAA 151/4885SI 142/4885

“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.