Duloxetine

Duloxetine

SCHEMBL10036575

CNCCC(Oc1cccc2ccccc12)c1cccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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
SLC6A4 known ✓ P31645 14/20 1.00
SLC6A2 known ✓ P23975 13/20 1.00
SLC6A3 Q01959 9/20 1.00
MLNR O43193 1/20 1.00
CACNA1F O60840 1/20 1.00
CYP1A2 P05177 1/20 1.00
ADRB1 P08588 1/20 1.00
CYP3A4 P08684 1/20 1.00
HTR1A P08908 1/20 1.00
GAA P10253 1/20 1.00
CYP2D6 P10635 1/20 1.00
CYP2C9 P11712 1/20 1.00
DRD2 P14416 1/20 1.00
KCNE1 P15382 1/20 1.00
ADRA2B P18089 1/20 1.00
ADRA2C P18825 1/20 1.00
HTR2A P28223 1/20 1.00
HTR2C P28335 1/20 1.00
MC4R P32245 1/20 1.00
CYP2C19 P33261 1/20 1.00

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
(R)-Duloxetine SCHEMBL1200511 1.00 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3MLNRCACNA1F
Duloxetine SCHEMBL3398599 1.00 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3MLNRCACNA1F
Duloxetine SCHEMBL29355040 1.00 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3MLNRCACNA1F
(R)-Duloxetine SCHEMBL30003730 1.00 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3MLNRCACNA1F
Duloxetine SCHEMBL30197067 1.00 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3MLNRCACNA1F
Duloxetine SCHEMBL3803 1.00 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3MLNRCACNA1F
Duloxetine SCHEMBL8291 1.00 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3MLNRCACNA1F
Duloxetine SCHEMBL2384759 0.99 SLC6A2 (0.98) SLC6A4SLC6A2SLC6A3MLNRCACNA1F
(R)-Duloxetine SCHEMBL3901869 0.99 SLC6A2 (0.98) SLC6A4SLC6A2SLC6A3MLNRCACNA1F
Duloxetine SCHEMBL647773 0.99 SLC6A2 (0.98) SLC6A4SLC6A2SLC6A3MLNRCACNA1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2508519-A1 \"Process for the preparation of duloxetine and its hydrochloride salt\ Bioindustria Laboratorio Italiano Medicinali S.p.A In forma abbreviata Bioindustria L.I.M. S.p.A. (IT) 2012-10-10 EP claimed
EP-0273658-B1 3-ARYLOXY-3-SUBSTITUTED PROPANAMINES ELI LILLY AND COMPANY (US) 1990-10-31 EP claimed
EP-0273658-A1 3-Aryloxy-3-substituted propanamines ELI LILLY AND COMPANY (US) 1988-07-06 EP claimed
US-20220273637-A1 NOVEL PFAR-INHIBITING COMPOUNDS Institut National de la Santé et de la Recherche Médicale (FR) 2022-09-01 US disclosed
US-20220265659-A1 METHODS AND COMPOSITIONS FOR TREATING PAX6-DEFICIENCY RELATED DISEASE UNIVERSITÉ PARIS CITÉ (FR) 2022-08-25 US disclosed
EP-4025206-A1 METHODS AND COMPOSITIONS FOR TREATING PAX6- DEFICIENCY RELATED DISEASE Institut National de la Santé et de la Recherche Médicale (INSERM) (FR) 2022-07-13 EP disclosed
EP-3838899-A1 3-ARYLOXYL-3-FIVE-MEMBERED HETEROARYL PROPYLAMINE COMPOUND AND USE THEREOF Shanghai Leado Pharmatech Co. Ltd. (CN) 2021-06-23 EP disclosed
WO-2021043723-A1 METHODS AND COMPOSITIONS FOR TREATING PAX6- DEFICIENCY RELATED DISEASE INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2021-03-11 WO disclosed
WO-2020228789-A1 3-ARYLOXYL-3-FIVE-MEMBERED HETEROARYL PROPYLAMINE COMPOUND, AND CRYSTAL FORM AND USE THEREOF 上海璃道医药科技有限公司 2020-11-19 WO disclosed
US-20200230132-A1 METHODS OF TREATING CANCER USING COMPOSITIONS COMPRISING PERILLYL ALCOHOL DERIVATIVE NATIONAL INSTITUTES OF HEALTH 2020-07-23 US disclosed
US-9913838-B2 Methods of treating cancer using compositions comprising perillyl alcohol derivative Neonc Technologies, Inc. (US) 2018-03-13 US disclosed
WO-2007038253-A2 DNT-MALEATE AND METHODS OF PREPARATION THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-04-05 WO disclosed
US-20070010502-A1 Methods and reagents for the treatment of immunoinflammatory disorders COMBINATORX INC. (US) 2007-01-11 US disclosed
US-20070010502-A1 Methods and reagents for the treatment of immunoinflammatory disorders COMBINATORX INC. (US) 2007-01-11 US disclosed
US-20070004795-A1 Antidepressant oral pharmaceutical compositions NANOCRYSTAL ASIA INC. (TW) 2007-01-04 US disclosed
US-20070004795-A1 Antidepressant oral pharmaceutical compositions NANOCRYSTAL ASIA INC. (TW) 2007-01-04 US disclosed
WO-2005060968-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR IMPROVING SLEEP QUALITY AND TREATING DEPRESSION SEPRACOR INC. (US) 2005-07-07 WO disclosed
WO-2005037203-A2 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2005-04-28 WO disclosed
WO-2004073614-A2 COMBINATION THERAPY FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2004-09-02 WO disclosed
WO-2004030618-A2 METHODS AND REAGENTS FOR THE TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH INCREASED LEVELS OF PROINFLAMMATORY CYTOKINES COMBINATORX, INCORPORATED (US) 2004-04-15 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 (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-20200230132-A1 METHODS OF TREATING CANCER USING COMPOSITIONS COMPRISING PERILLYL ALCOHOL DERIVATIVE POLH, PLIN3, POLE3 SLC6A4 4302/4885SLC6A2 4159/4885SLC6A3 2515/4885
US-20220265659-A1 METHODS AND COMPOSITIONS FOR TREATING PAX6-DEFICIENCY RELATED DISEASE MITF, PAX3, RB1 SLC6A4 797/4885SLC6A2 1678/4885SLC6A3 481/4885
US-20070010502-A1 Methods and reagents for the treatment of immunoinflammatory disorders IL5, TPMT, TSLP SLC6A4 3269/4885SLC6A2 3188/4885SLC6A3 3683/4885
US-20070004795-A1 Antidepressant oral pharmaceutical compositions SLC6A4, SLC5A1, SLC5A2 SLC6A4 1/4885SLC6A2 6/4885SLC6A3 11/4885

“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.