SCHEMBL2014600

SCHEMBL2014600

CNC(C[C@H](Oc1cccc2ccccc12)c1cccs1)OC(=O)C(=O)OC(C[C@H](Oc1cccc2ccccc12)c1cccs1)NC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.61
SLC6A4 P31645 11/20 0.61
SLC6A3 Q01959 9/20 0.61
HTR1A P08908 2/20 0.61
MLNR O43193 1/20 0.61
CACNA1F O60840 1/20 0.61
CYP1A2 P05177 1/20 0.61
ADRB1 P08588 1/20 0.61
CYP3A4 P08684 1/20 0.61
GAA P10253 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
DRD2 P14416 1/20 0.61
KCNE1 P15382 1/20 0.61
ADRA2B P18089 1/20 0.61
ADRA2C P18825 1/20 0.61
HTR2A P28223 1/20 0.61
HTR2C P28335 1/20 0.61
MC4R P32245 1/20 0.61
CYP2C19 P33261 1/20 0.61

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
SCHEMBL3336 1.00 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL4108375 0.91 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL3413 0.91 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL9725764 0.91 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL4106328 0.87 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL5869349 0.86 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL9744 0.85 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL1535379 0.84 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL4104256 0.84 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL3312531 0.83 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3HTR1AMLNR

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100432069-C 3-methylamino-1- (2-thienyl) -1-acetone and preparation and application thereof BASF AG (DE) 2008-11-12 CN claimed
EP-1587802-B1 PRODUCTION AND USE OF 3-METHYLAMINO-1-(2-THIENYL)-1-PROPANONE BASF AG (DE) 2007-11-14 EP claimed
US-7259264-B2 3-methylamino-1-(2-thienyl)-1-propanone, production and use thereof BASF AKTIENGESELLSCHAFT (DE) 2007-08-21 US claimed
US-20060128791-A1 3-Methylamino-1-(2-thienyl)-1-propanone, production and use thereof BASF AKTIENGESELLSCHAFT (DE) 2006-06-15 US claimed
CN-1742003-A 3-methylamino-1-(2-thienyl)-1-propanone, production and use thereof BASF AG (DE) 2006-03-01 CN claimed
US-8269023-B2 Process for preparation of duloxetine hydrochloride LUPIN LTD. (IN) 2012-09-18 US disclosed
WO-2011077443-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF DULOXETINE HYDROCHLORIDE BIOCON LIMITED (IN) 2011-06-30 WO disclosed
EP-1857451-B1 A process for the preparation of an intermediate useful for the asymmetric synthesis of (+)duloxetine FIDIA FARMACEUTICI (IT) 2010-07-21 EP disclosed
US-20100105925-A1 NOVEL PROCESS FOR PREPARATION OF DULOXETINE HYDROCHLORIDE LUPIN LIMITED (IN) 2010-04-29 US disclosed
CN-100432069-C 3-methylamino-1- (2-thienyl) -1-acetone and preparation and application thereof BASF AG (DE) 2008-11-12 CN disclosed
US-7435835-B2 Method for producing enantiomer-pure aminoalcohols BASF AG (DE) 2008-10-14 US disclosed
EP-1857451-A1 A process for the preparation of an intermediate useful for the asymmetric synthesis of (+)duloxetine SOLMAG S.p.A. (IT) 2007-11-21 EP disclosed
EP-1587802-B1 PRODUCTION AND USE OF 3-METHYLAMINO-1-(2-THIENYL)-1-PROPANONE BASF AG (DE) 2007-11-14 EP disclosed
US-7259264-B2 3-methylamino-1-(2-thienyl)-1-propanone, production and use thereof BASF AKTIENGESELLSCHAFT (DE) 2007-08-21 US disclosed
US-20070128704-A1 Method for producing enantiomer-pure aminoalcohols BASF AKTIENGESELLSCHAFT (DE) 2007-06-07 US disclosed
US-20060128791-A1 3-Methylamino-1-(2-thienyl)-1-propanone, production and use thereof BASF AKTIENGESELLSCHAFT (DE) 2006-06-15 US disclosed
CN-1742003-A 3-methylamino-1-(2-thienyl)-1-propanone, production and use thereof BASF AG (DE) 2006-03-01 CN disclosed
EP-1587802-A1 3-METHYLAMINO-1-(2-THIENYL)-1-PROPANONE, PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2005-10-26 EP disclosed
WO-2004065376-A1 3-METHYLAMINO-1-(2-THIENYL)-1-PROPANONE, PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2004-08-05 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 (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-20070128704-A1 Method for producing enantiomer-pure aminoalcohols ADH1A, ADH1C, ADH5 SLC6A2 2935/4885SLC6A4 2006/4885SLC6A3 3205/4885
US-20100105925-A1 NOVEL PROCESS FOR PREPARATION OF DULOXETINE HYDROCHLORIDE MAOA, SLC6A3, PNMT SLC6A2 19/4885SLC6A4 16/4885SLC6A3 2/4885

“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.