SCHEMBL1200623

SCHEMBL1200623

CN(C)CC[C@@H](O)c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
CACNA2D1 P54289 1/20 0.45
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
HTR1A P08908 2/20 0.42
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
ALOX5 P09917 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
KEAP1 Q14145 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL522925 1.00 NPC1 (0.48) NPC1RAB9AKMT2ACACNA2D1CYP3A4
SCHEMBL4156 1.00 NPC1 (0.48) NPC1RAB9AKMT2ACACNA2D1CYP3A4
SCHEMBL4621336 0.98 NPC1 (0.47) NPC1RAB9AKMT2ACACNA2D1CYP3A4
Hydrochloric Acid SCHEMBL27710967 0.98 NPC1 (0.47) NPC1RAB9AKMT2ACACNA2D1CYP3A4
SCHEMBL4619913 0.98 NPC1 (0.47) NPC1RAB9AKMT2ACACNA2D1CYP3A4
Hydrochloric Acid SCHEMBL27899374 0.98 NPC1 (0.47) NPC1RAB9AKMT2ACACNA2D1CYP3A4
SCHEMBL4621986 0.98 NPC1 (0.47) NPC1RAB9AKMT2ACACNA2D1CYP3A4
Alcohol SCHEMBL6236373 0.95 CACNA2D1 (0.48) NPC1RAB9AKMT2ACACNA2D1CYP3A4
Tetrahydrothiophene SCHEMBL12971275 0.89 NPC1 (0.41) NPC1RAB9AKMT2ACACNA2D1CYP3A4
SCHEMBL28016938 0.89 CACNA2D1 (0.42) NPC1RAB9AKMT2ACACNA2D1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114437022-A Preparation method of duloxetine intermediate 浙江拓普药业股份有限公司 2022-05-06 CN claimed
CN-110736711-A Detection method for preparation process of R- (+) -3- (dimethylamino) -1- (2-thienyl) -1-propanol 南京趣酶生物科技有限公司 2020-01-31 CN claimed
EP-1405917-B1 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction SALTIGO GMBH (DE) 2013-08-14 EP claimed
CN-102285961-B Method for preparing chiral intermediate of duloxetine YANGTZE RIVER PHARM GROUP CO 2013-05-15 CN claimed
EP-2132192-B1 NOVEL PROCESS FOR PREPARATION OF DULOXETINE HYDROCHLORIDE LUPIN LTD (IN) 2013-04-24 EP claimed
CN-102285961-A Method for preparing chiral intermediate of duloxetine 2011-12-21 CN claimed
WO-2011033366-A8 IMPROVED PROCESS FOR THE PREPARATION OF DULOXETINE AND ITS PHARMACEUTICALLY ACCEPTABLE SALT JUBILANT LIFE SCIENCES LIMITED (IN) 2011-05-05 WO claimed
WO-2011033366-A2 PROCESS FOR THE PREPARATION OF DULOXETINE HYDROCHLORIDE AND ITS PRECURSORS JUBILANT LIFE SCIENCES LIMITED (IN) 2011-03-24 WO claimed
US-7553970-B2 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2009-06-30 US claimed
EP-1758879-B1 METHOD OF MANUFACTURING (S)-N-METHYL-3-(1-NAPHTHYLOXY)-3-(2-THIENYL)PROPYLAMINE HYDROCHLORIDE (DULOXETINE) ZENTIVA AS (CZ) 2007-12-12 EP claimed
US-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2004-09-16 US claimed
CN-1497048-A Method for preparing 3-heteroarylradical-3-hydroxy-propionic acid derivative 拜尔公司 2004-05-19 CN claimed
EP-1405917-A2 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction Bayer Chemicals AG (DE) 2004-04-07 EP claimed
CN-119955874-A Duloxetine Process for the preparation of intermediates 南京红杉生物科技有限公司 2025-05-09 CN disclosed
CN-113072486-B Amino alcohol-boron-binaphthol complex and preparation method of optically active amino alcohol derivative using same 分子与物质株式会社 2024-10-11 CN disclosed
CN-117769547-A Preparation method of 3-aryloxy-3-five-membered heteroaryl-propylamine compound 上海璃道医药科技有限公司 2024-03-26 CN disclosed
EP-1405917-A2 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction Bayer Chemicals AG (DE) 2004-04-07 EP disclosed
US-20030225153-A1 Process for preparing arylaminopropanols LANXESS DEUTSCHLAND GMBH (DE) 2003-12-04 US disclosed
EP-1346977-A1 Method for producing aryl-aminopropanols Bayer Aktiengesellschaft (DE) 2003-09-24 EP disclosed
US-6541668-B1 Using nucleophilic aromatic displacement in 1,3-dimethyl-2-imidazolidinone or N-methylpyrrolidinone ELI LILLY AND COMPANY 2003-04-01 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 (2 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-20030225153-A1 Process for preparing arylaminopropanols AHR, CYP1A1, CYP1A2 NPC1 2343/4885RAB9A 3297/4885KMT2A 746/4885
US-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives HPD, HAAO, GRHPR NPC1 1532/4885RAB9A 3383/4885KMT2A 1997/4885

“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.