Duloxetine

Duloxetine

SCHEMBL2120068

CC(=O)O.CNCC[C@H](Oc1cccc2ccccc12)c1cccs1

nearest known ligand 0.87

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 0.87
SLC6A4 known ✓ P31645 13/20 0.87
SLC6A3 Q01959 10/20 0.87
MLNR O43193 1/20 0.87
CACNA1F O60840 1/20 0.87
CYP1A2 P05177 1/20 0.87
ADRB1 P08588 1/20 0.87
CYP3A4 P08684 1/20 0.87
HTR1A P08908 1/20 0.87
GAA P10253 1/20 0.87
CYP2D6 P10635 1/20 0.87
CYP2C9 P11712 1/20 0.87
DRD2 P14416 1/20 0.87
KCNE1 P15382 1/20 0.87
ADRA2B P18089 1/20 0.87
ADRA2C P18825 1/20 0.87
HTR2A P28223 1/20 0.87
HTR2C P28335 1/20 0.87
MC4R P32245 1/20 0.87
CYP2C19 P33261 1/20 0.87

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 SCHEMBL3896385 0.96 SLC6A2 (0.87) SLC6A2SLC6A4SLC6A3MLNRCACNA1F
Duloxetine SCHEMBL2109339 0.96 SLC6A2 (0.87) SLC6A2SLC6A4SLC6A3MLNRCACNA1F
Duloxetine SCHEMBL308488 0.96 SLC6A2 (0.87) SLC6A2SLC6A4SLC6A3MLNRCACNA1F
Duloxetine SCHEMBL3335 0.96 SLC6A2 (0.87) SLC6A2SLC6A4SLC6A3MLNRCACNA1F
Duloxetine SCHEMBL4573554 0.95 SLC6A2 (0.85) SLC6A2SLC6A4SLC6A3MLNRCACNA1F
Duloxetine SCHEMBL309402 0.94 SLC6A2 (0.83) SLC6A2SLC6A4SLC6A3MLNRCACNA1F
Duloxetine SCHEMBL991500 0.93 SLC6A2 (0.95) SLC6A2SLC6A4SLC6A3MLNRCACNA1F
Duloxetine SCHEMBL3803 0.93 SLC6A4 (1.00) SLC6A2SLC6A4SLC6A3MLNRCACNA1F
Duloxetine SCHEMBL3398599 0.93 SLC6A4 (1.00) SLC6A2SLC6A4SLC6A3MLNRCACNA1F
Duloxetine SCHEMBL8291 0.93 SLC6A4 (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095239-A1 A PROCESS FOR THE PREPARATION OF DULOXETINE HYDROCHLORIDE ALEMBIC PHARMACEUTICALS LIMITED (IN) 2012-04-19 US disclosed
EP-2393799-A1 A PROCESS FOR THE PREPARATION OF DULOXETINE HYDROCHLORIDE Alembic Pharmaceuticals Limited (IN) 2011-12-14 EP disclosed
WO-2010103443-A1 A PROCESS FOR THE PREPARATION OF DULOXETINE HYDROCHLORIDE ALEMBIC LIMITED (IN) 2010-09-16 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-20120095239-A1 A PROCESS FOR THE PREPARATION OF DULOXETINE HYDROCHLORIDE HTR5A, BDNF, CYP3A5 SLC6A2 5/4885SLC6A4 6/4885SLC6A3 34/4885

“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.