Duloxetine

Duloxetine

SCHEMBL991500

CCO.CNCC[C@H](Oc1cccc2ccccc12)c1cccs1

nearest known ligand 0.95

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SLC6A2SLC6A4

The experimentally established mechanism targets of Duloxetine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 13/20 0.95
SLC6A4 known ✓ P31645 13/20 0.95
SLC6A3 Q01959 9/20 0.95
MLNR O43193 1/20 0.95
CACNA1F O60840 1/20 0.95
CYP1A2 P05177 1/20 0.95
ADRB1 P08588 1/20 0.95
CYP3A4 P08684 1/20 0.95
HTR1A P08908 1/20 0.95
GAA P10253 1/20 0.95
CYP2D6 P10635 1/20 0.95
CYP2C9 P11712 1/20 0.95
DRD2 P14416 1/20 0.95
KCNE1 P15382 1/20 0.95
ADRA2B P18089 1/20 0.95
ADRA2C P18825 1/20 0.95
HTR2A P28223 1/20 0.95
HTR2C P28335 1/20 0.95
MC4R P32245 1/20 0.95
CYP2C19 P33261 1/20 0.95

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
Duloxetine SCHEMBL3398599 0.98 SLC6A4 (1.00) SLC6A2SLC6A4SLC6A3MLNRCACNA1F
(R)-Duloxetine SCHEMBL1200511 0.98 SLC6A4 (1.00) SLC6A2SLC6A4SLC6A3MLNRCACNA1F
Duloxetine SCHEMBL30197067 0.98 SLC6A4 (1.00) SLC6A2SLC6A4SLC6A3MLNRCACNA1F
Duloxetine SCHEMBL29355040 0.98 SLC6A4 (1.00) SLC6A2SLC6A4SLC6A3MLNRCACNA1F
Duloxetine SCHEMBL10036575 0.98 SLC6A4 (1.00) SLC6A2SLC6A4SLC6A3MLNRCACNA1F
Duloxetine SCHEMBL3803 0.98 SLC6A4 (1.00) SLC6A2SLC6A4SLC6A3MLNRCACNA1F
Duloxetine SCHEMBL8291 0.98 SLC6A4 (1.00) SLC6A2SLC6A4SLC6A3MLNRCACNA1F
(R)-Duloxetine SCHEMBL30003730 0.98 SLC6A4 (1.00) SLC6A2SLC6A4SLC6A3MLNRCACNA1F
Duloxetine SCHEMBL647773 0.96 SLC6A2 (0.98) SLC6A2SLC6A4SLC6A3MLNRCACNA1F
(R)-Duloxetine SCHEMBL3901869 0.96 SLC6A2 (0.98) SLC6A2SLC6A4SLC6A3MLNRCACNA1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240058272-A1 STABLE PARENTERAL FORMULATIONS OF DULOXETINE LEIUTIS PHARMACEUTICALS LLP (IN) 2024-02-22 US claimed
US-20220409544-A1 STABLE PARENTERAL FORMULATIONS OF DULOXETINE LEIUTIS PHARMACEUTICALS LLP (IN) 2022-12-29 US claimed
WO-2021100030-A1 STABLE PARENTERAL FORMULATIONS OF DULOXETINE LEIUTIS PHARMACEUTICALS PRIVATE LIMITED (IN) 2021-05-27 WO claimed
US-8658400-B2 Biocatalysts for manufacturing duloxetine alcohol BASF SE (DE) 2014-02-25 US claimed
CN-102317450-A IMPROVED BIOCATALYSTS FOR MANUFACTURING DULOXETINE ALCOHOL BASF SE 2012-01-11 CN claimed
US-20110250655-A1 Biocatalysts For Manufacturing Duloxetine Alcohol BASF SE (DE) 2011-10-13 US claimed
US-20240058272-A1 STABLE PARENTERAL FORMULATIONS OF DULOXETINE LEIUTIS PHARMACEUTICALS LLP (IN) 2024-02-22 US disclosed
US-20220409544-A1 STABLE PARENTERAL FORMULATIONS OF DULOXETINE LEIUTIS PHARMACEUTICALS LLP (IN) 2022-12-29 US disclosed
US-8658400-B2 Biocatalysts for manufacturing duloxetine alcohol BASF SE (DE) 2014-02-25 US disclosed
US-8658400-B2 Biocatalysts for manufacturing duloxetine alcohol BASF SE (DE) 2014-02-25 US disclosed
US-8658400-B2 Biocatalysts for manufacturing duloxetine alcohol BASF SE (DE) 2014-02-25 US disclosed
US-8455223-B2 Reducing substituted alkanones such as 3-methylamino-1-(2-thienyl)-propan-1-one; biosynthesis; expression cassettes; host cells; for production of duloxetine BASF SE (DE) 2013-06-04 US disclosed
CN-102317450-A IMPROVED BIOCATALYSTS FOR MANUFACTURING DULOXETINE ALCOHOL BASF SE 2012-01-11 CN disclosed
WO-2011009849-A2 METHOD FOR PREPARING OPTICALLY ACTIVE HYDROXY ACID ESTERS BASF SE (DE) 2011-01-27 WO disclosed
WO-2010079068-A1 IMPROVED BIOCATALYSTS FOR MANUFACTURING DULOXETINE ALCOHOL BASF SE (DE) 2010-07-15 WO disclosed
WO-2010079068-A1 IMPROVED BIOCATALYSTS FOR MANUFACTURING DULOXETINE ALCOHOL BASF SE (DE) 2010-07-15 WO disclosed
CN-101321876-A Enzymatic reduction for producing optically active alcohols BASF AG (DE) 2008-12-10 CN disclosed
US-20080220484-A1 Novel Dehydrogenases, the Derivatives thereof, and Method for the Production of Optically Active Alkanols BASF AKTIENGESELLSCHAFT (DE) 2008-09-11 US disclosed
US-20060211099-A1 L-carnitin dehydrogenases, their derivatives and method for producing substituted (s) alkanols BASF AKTIENGESELLSCHAFT (DE) 2006-09-21 US disclosed
CN-1771323-A L-carnitin dehydrogenases, their derivatives and method for producing substituted (s) alkanols BASF AG (DE) 2006-05-10 CN 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-20080220484-A1 Novel Dehydrogenases, the Derivatives thereof, and Method for the Production of Optically Active Alkanols ALDH7A1, ALDH3A1, ADH5 SLC6A2 3802/4885SLC6A4 3740/4885SLC6A3 3041/4885
US-20110250655-A1 Biocatalysts For Manufacturing Duloxetine Alcohol ADH5, ADH1A, ADH1C SLC6A2 102/4885SLC6A4 118/4885SLC6A3 245/4885
US-20060211099-A1 L-carnitin dehydrogenases, their derivatives and method for producing substituted (s) alkanols ALDH7A1, ALDH3A1, AMPD3 SLC6A2 3400/4885SLC6A4 3990/4885SLC6A3 3537/4885

“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.