SCHEMBL5847089

SCHEMBL5847089

CC(C)CC(=O)c1ccccc1N1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.58
NPC1 O15118 1/20 0.58
MAPT P10636 4/20 0.51
NPSR1 Q6W5P4 3/20 0.51
MC4R P32245 4/20 0.51
L3MBTL1 Q9Y468 6/20 0.47
ATM Q13315 2/20 0.47
KCNQ2 O43526 2/20 0.46
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PTPN1 P18031 2/20 0.44
USP2 O75604 1/20 0.44
GLA P06280 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL6490484 0.85 ADRB1 (0.47) GAAMAPTMC4RL3MBTL1ALDH1A1
SCHEMBL6569082 0.83 NPC1 (0.63) GAANPC1MAPTNPSR1L3MBTL1
SCHEMBL8142448 0.82 GAA (0.51) GAANPC1MAPTNPSR1MC4R
Hydrochloric Acid SCHEMBL10728839 0.81 NPC1 (0.61) GAANPC1MAPTNPSR1L3MBTL1
SCHEMBL11037115 0.81 NPC1 (0.60) GAANPC1MAPTNPSR1L3MBTL1
SCHEMBL27475740 0.81 NPC1 (0.65) GAANPC1MAPTNPSR1L3MBTL1
SCHEMBL11665416 0.80 NPC1 (0.59) GAANPC1MAPTNPSR1L3MBTL1
SCHEMBL15372278 0.80 NPC1 (0.63) GAANPC1MAPTNPSR1L3MBTL1
SCHEMBL227731 0.79 NPC1 (0.71) GAANPC1NPSR1L3MBTL1ATM
SCHEMBL1715918 0.79 NPC1 (0.71) GAANPC1NPSR1L3MBTL1ATM

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
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
WO-2007104359-A1 SYNTHESIS OF AMINES WITH YTTERBIUM LEWIS ACIDS JACOBS UNIVERSITY BREMEN GGMBH (DE) 2007-09-20 WO disclosed
WO-2007104357-A1 SYNTHESIS OF AMINES WITH CATALYTIC AMOUNTS OF MILD LEWIS ACIDS JACOBS UNIVERSITY BREMEN GGMBH (DE) 2007-09-20 WO disclosed
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 disclosed
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 disclosed
EP-0736509-B1 Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL CO (JP) 2001-11-14 EP disclosed
US-6143769-A ENANTIOMORPH KARL THOMAE GMBH (DE) 2000-11-07 US disclosed
US-6025531-A REACTING A PROCHIRAL KETONE WITH A MIXTURE BORON-CONTAINING COMPOUNDS HAVING A BORANE REACTION PRODUCT FROM OPTICALLY ACTIVE BETA-AMINOALCOHOL AND A BORON HYDRIDE OR A METAL BOROHYDRIDE, AND AN OPTICALLY ACTIVE OXAZABOROLIDINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-15 US disclosed
CN-1048722-C (S)(+)-2-Ethoxy-4-[N-[1-(2-piperidino-phenyl)-3-methyl-1-butyl]-aminocarbonylmethyl]-benzoic acid, pharmaceutical compositions containing compound and processes for preparation thereof THOMAE GMBH DR K (DE) 2000-01-26 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-5801280-A Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-09-01 US disclosed
EP-0736509-A2 Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-10-09 EP disclosed
US-5312924-A Compounds for lowering blood sugar and effecting metabolism DR. KARL THOMAE GMBH (DE) 1994-05-17 US disclosed
EP-0589874-A1 (S)(+)-2-ETHOXY-4- N- 1-(2-PIPERIDINOPHENYL)-3-METHYL-1-BUTYL]AMINOCARBONYLMETHYL]BENZOIC ACID Dr. Karl Thomae GmbH (DE) 1994-04-06 EP disclosed
CN-1068820-A (S) (+)-2-oxyethyl group-4-[N-[1-(2-piperidino-phenyl)-3-methyl isophthalic acid-butyl] amino carbonyl methyl] phenylformic acid, contain pharmaceutical composition of this compound and preparation method thereof THOMAE GMBH DR K (DE) 1993-02-10 CN disclosed
WO-1993000337-A1 (S)(+)-2-ETHOXY-4-[N-[1-(2-PIPERIDINOPHENYL)-3-METHYL-1-BUTYL]AMINOCARBONYLMETHYL]BENZOIC ACID DR. KARL THOMAE GMBH (DE) 1993-01-07 WO 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 (1 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 GAA 646/4885NPC1 1778/4885MAPT 3285/4885

“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.