SCHEMBL390826

SCHEMBL390826

CC(C)C[C@H](N)c1ccccc1N1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MC4R P32245 13/20 0.54
KEAP1 Q14145 1/20 0.47
CYP3A4 P08684 1/20 0.45
GAA P10253 2/20 0.44
MAPK1 P28482 1/20 0.42
KCNQ2 O43526 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL1964089 1.00 MC4R (0.54) MC4RKEAP1CYP3A4GAAMAPK1
SCHEMBL17871701 1.00 MC4R (0.54) MC4RKEAP1CYP3A4GAAMAPK1
SCHEMBL31388217 1.00 MC4R (0.54) MC4RKEAP1CYP3A4GAAMAPK1
SCHEMBL31128130 1.00 MC4R (0.54) MC4RKEAP1CYP3A4GAAMAPK1
SCHEMBL442668 1.00 MC4R (0.54) MC4RKEAP1CYP3A4GAAMAPK1
Hydrochloric Acid SCHEMBL17871800 0.98 MC4R (0.53) MC4RKEAP1CYP3A4GAAMAPK1
SCHEMBL5792053 0.98 MC4R (0.55) MC4RKEAP1CYP3A4GAAKCNQ2
Methylene Chloride SCHEMBL27881490 0.95 MC4R (0.54) MC4RKEAP1CYP3A4GAA
SCHEMBL19665213 0.88 KEAP1 (0.45) MC4RKEAP1GAAMAPK1KCNQ2
Glutarate SCHEMBL2343643 0.87 MC4R (0.53) MC4RCYP3A4GAAKCNQ2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105384708-A Preparation method for (S)-(+)-1-(2-piperidine phenyl)-3-methyl n-butylamine Henan purui pharmaceutical co ltd 2016-03-09 CN claimed
US-20120065404-A1 Process for Preparing Ethyl (s)-2-Ethoxy-4-[N-[1-(2-Piperidinophenyl)-3-Methyl-1-Butyl]Aminocarbonyl Methyl]Benzoate and Use Thereof for the Preparation of Repaglinide ACTAVIS GROUP PTC HF (IS) 2012-03-15 US claimed
US-8101769-B2 Chemical intermediate; high purity drug ACTAVIS GROUP PTC EHF (IE) 2012-01-24 US claimed
EP-2358369-A1 Process for the preparation of substantially optically pure repaglinide and precursors thereof Krka Tovarna Zdravil, D.D., Novo Mesto (SI) 2011-08-24 EP claimed
US-20100197732-A1 Repaglinide Substantially Free of Dimer Impurity ACTAVIS GROUP PTC EHF (IS) 2010-08-05 US claimed
WO-2010046360-A1 PROCESS FOR THE PREPARATION OF SUBSTANTIALLY OPTICALLY PURE REPAGLINIDE AND PRECURSORS THEREOF KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) 2010-04-29 WO claimed
EP-2019097-A1 Process for preparing (alphaS)-alpha-(2-methylpropyl)-2-(1-piperidinyl)benzenemethanamine Aurobindo Pharma Limited (IN) 2009-01-28 EP claimed
US-20080200684-A1 Process for Preparing Ethyl (s)-2-Ethoxy-4-[N-[1-(2-Piperidinophenyl)-3-Methyl-1-Butyl]Aminocarbonyl Methyl]Benzoate and Use Thereof for the Preparation of Repaglinide ACTAVIS GROUP PTC HF (IS) 2008-08-21 US claimed
US-7041830-B2 Process for preparing (RS) 3-methyl-1-(2-piperidinyl phenyl) butyl amine COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-05-09 US claimed
US-20040192921-A1 Process for preparing (RS) 3-methyl-1-(2-piperidinyl phenyl) butyl amine COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2004-09-30 US claimed
EP-0965591-B1 Process for the preparation of (S)-3-methyl-1-(2-piperidino-phenyl)-1-butylamine BOEHRINGER INGELHEIM PHARMA (DE) 2002-09-04 EP claimed
EP-0965591-A1 (s)-3-methyl-1-(2-piperidino-phenyl)-1-butylamine, its salts, synthesis and use in the long term therapy of diabetes mellitus Boehringer Ingelheim Pharma KG (DE) 1999-12-22 EP claimed
EP-3214077-B1 PROCESS FOR THE PURIFICATION OF A PHARMACEUTICAL AGENT ZAKL FARMACEUTYCZNE POLPHARMA S A (PL) 2020-03-11 EP disclosed
CN-105384708-A Preparation method for (S)-(+)-1-(2-piperidine phenyl)-3-methyl n-butylamine Henan purui pharmaceutical co ltd 2016-03-09 CN disclosed
CN-105198838-A Preparation method of repaglinide Henan purui pharmaceutical co ltd 2015-12-30 CN disclosed
CN-105175361-A Improved production process for repaglinide TIANJIN PHARMACEUTICAL GROUP GENCOM PHARMACEUTICAL 2015-12-23 CN disclosed
EP-0965591-A1 (s)-3-methyl-1-(2-piperidino-phenyl)-1-butylamine, its salts, synthesis and use in the long term therapy of diabetes mellitus Boehringer Ingelheim Pharma KG (DE) 1999-12-22 EP disclosed
EP-0589874-B1 USE OF (S)(+)-2-ETHOXY-4-[N-[1-(2-PIPERIDINOPHENYL)-3-METHYL-1-BUTYL]AMINOCARBONYLMETHYL]BENZOIC ACID FOR THE PREPARATION OF A LONGLASTING ANTIDIABETIC MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 1999-09-08 EP disclosed
US-5312924-A Compounds for lowering blood sugar and effecting metabolism DR. KARL THOMAE GMBH (DE) 1994-05-17 US disclosed
US-5216167-A Hypoglycemic agents DR. KARL THOMAE GMBH (DE) 1993-06-01 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-20040192921-A1 Process for preparing (RS) 3-methyl-1-(2-piperidinyl phenyl) butyl amine GPR119, GLP1R, IRS1 MC4R 274/4885KEAP1 1440/4885CYP3A4 72/4885
US-20100197732-A1 Repaglinide Substantially Free of Dimer Impurity EMG1, DAP3, DRD4 MC4R 1094/4885KEAP1 4787/4885CYP3A4 207/4885
US-20120065404-A1 Process for Preparing Ethyl (s)-2-Ethoxy-4-[N-[1-(2-Piperidinophenyl)-3-Methyl-1-Butyl]Aminocarbonyl Methyl]Benzoate and Use Thereof for the Preparation of Repaglinide MEP1B, GABRE, BPGM MC4R 1174/4885KEAP1 3417/4885CYP3A4 55/4885
US-20080200684-A1 Process for Preparing Ethyl (s)-2-Ethoxy-4-[N-[1-(2-Piperidinophenyl)-3-Methyl-1-Butyl]Aminocarbonyl Methyl]Benzoate and Use Thereof for the Preparation of Repaglinide MEP1B, GABRE, BPGM MC4R 1174/4885KEAP1 3417/4885CYP3A4 55/4885

“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.