Atomoxetine

Atomoxetine

SCHEMBL2209541

CNCC[C@H](Oc1ccccc1C)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SLC6A2

The experimentally established mechanism targets of Atomoxetine. 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 9/20 1.00
SLC6A4 P31645 14/20 1.00
CYP1A2 P05177 4/20 1.00
CYP3A4 P08684 4/20 1.00
CYP2D6 P10635 4/20 1.00
TSHR P16473 3/20 1.00
SLC6A3 Q01959 3/20 1.00
CHRM1 P11229 2/20 1.00
ADRA2B P18089 2/20 1.00
HTR2A P28223 2/20 1.00
HTR2C P28335 2/20 1.00
HRH1 P35367 2/20 1.00
OPRM1 P35372 2/20 1.00
DRD3 P35462 2/20 1.00
OPRK1 P41145 2/20 1.00
HTR2B P41595 2/20 1.00
KCNH2 Q12809 2/20 1.00
KLF10 Q13118 2/20 1.00
HRH3 Q9Y5N1 2/20 1.00
KMT2A Q03164 2/20 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
Atomoxetine SCHEMBL34268 1.00 SLC6A4 (1.00) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
Atomoxetine SCHEMBL5783906 1.00 SLC6A4 (1.00) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
Atomoxetine SCHEMBL341802 1.00 SLC6A4 (1.00) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
Atomoxetine SCHEMBL29440242 1.00 SLC6A4 (1.00) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
Atomoxetine SCHEMBL12047445 1.00 SLC6A4 (1.00) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
Atomoxetine SCHEMBL1560986 0.98 SLC6A2 (1.00) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
Atomoxetine SCHEMBL29528186 0.98 SLC6A2 (1.00) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
Atomoxetine SCHEMBL2206798 0.98 SLC6A2 (1.00) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
Atomoxetine SCHEMBL649168 0.98 SLC6A2 (1.00) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
Atomoxetine SCHEMBL122111 0.98 SLC6A2 (1.00) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7485754-B2 Efficient method for preparing 3-aryloxy-3-arylpropylamines and their optical stereoisomers APOTEX PHARMACHEM INC. (CA) 2009-02-03 US claimed
WO-2007006132-A1 AN EFFICIENT METHOD FOR PREPARING 3-ARYLOXY-3- ARYLPROPYLAMINES AND THEIR OPTICAL STEREOISOMERS APOTEX PHARMACHEM INC. (CA) 2007-01-18 WO claimed
US-20070010678-A1 Efficient method for preparing 3-aryloxy-3-arylpropylamines and their optical stereoisomers APOTEX PHARMACHEM INC. 2007-01-11 US claimed
EP-2124912-B1 ALPHA-2B ADRENERGIC RECEPTOR AGONIST AND SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITOR COMPOSITIONS FOR TREATING CHRONIC PAIN ALLERGAN INC (US) 2014-12-03 EP disclosed
CN-102321066-B Method for producing aryl-aminopropanols SALTIGO GMBH 2014-07-23 CN disclosed
EP-2348120-B1 Enzymatic reduction of 1-phenylpropanone and derivatives thereof Universität Wien (AT) 2014-06-11 EP disclosed
US-8367868-B2 Process for the synthesis of aryloxypropylamine and heteroaryloxypropylamine ARCHIMICA S.R.L. (IT) 2013-02-05 US disclosed
US-8367868-B2 Process for the synthesis of aryloxypropylamine and heteroaryloxypropylamine ARCHIMICA S.R.L. (IT) 2013-02-05 US disclosed
EP-2348120-A1 Enzymatic reduction of 1-phenylpropanone and derivatives thereof Universität Wien (AT) 2011-07-27 EP disclosed
US-20110136914-A1 SUBSTITUTED ARYLOXYPROPYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2011-06-09 US disclosed
US-20110136914-A1 SUBSTITUTED ARYLOXYPROPYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2011-06-09 US disclosed
US-20070010678-A1 Efficient method for preparing 3-aryloxy-3-arylpropylamines and their optical stereoisomers APOTEX PHARMACHEM INC. 2007-01-11 US disclosed
US-20060211772-A1 Processes for the preparation of atomoxetine hydrochloride TEVA PHARMACEUTICALS USA, INC. 2006-09-21 US disclosed
EP-1687254-A2 PROCESS FOR THE OPTICAL RESOLUTION AND RECYCLING OF TOMOXETINE Teva Pharmaceutical Fine Chemicals S.R.L. (IT) 2006-08-09 EP disclosed
EP-1673335-A2 PROCESS FOR THE PREPARATION OF ATOMOXETINE HYDROCHLORIDE Teva Pharmaceutical Fine Chemicals S.R.L. (IT) 2006-06-28 EP disclosed
WO-2006004976-A2 PROCESS FOR THE PREPARATION OF ATOMOXETINE HYDROCHLORIDE TEVA PHARMACEUTICAL FINE CHEMICALS S.R.L. (IT) 2006-01-12 WO disclosed
US-20060009530-A1 Process for the optical resolution and recycling of tomoxetine TEVA PHARMACEUTICALS USA, INC. 2006-01-12 US disclosed
WO-2006004977-A2 PROCESS FOR THE OPTICAL RESOLUTION AND RECYCLING OF TOMOXETINE TEVA PHARMACEUTICAL FINE CHEMICALS S.R.L. (IT) 2006-01-12 WO disclosed
US-20060009489-A1 Process for the preparation of atomoxetine hydrochloride TEVA PHARMACEUTICALS USA, INC. 2006-01-12 US disclosed
CN-1445224-A Process for preparing arylaminopropanols BAYER AG (DE) 2003-10-01 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 (5 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-20060009489-A1 Process for the preparation of atomoxetine hydrochloride SLC6A4, HTR5A, SLC6A3 SLC6A2 4/4885SLC6A4 1/4885CYP1A2 141/4885
US-20060009530-A1 Process for the optical resolution and recycling of tomoxetine SLC6A4, SLC6A3, SLC6A2 SLC6A2 3/4885SLC6A4 1/4885CYP1A2 144/4885
US-20110136914-A1 SUBSTITUTED ARYLOXYPROPYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 SLC6A2 5/4885SLC6A4 1/4885CYP1A2 1159/4885
US-20060211772-A1 Processes for the preparation of atomoxetine hydrochloride HTR5A, SLC6A4, HTR4 SLC6A2 5/4885SLC6A4 2/4885CYP1A2 129/4885
US-20070010678-A1 Efficient method for preparing 3-aryloxy-3-arylpropylamines and their optical stereoisomers SLC6A4, HTR3A, TPH2 SLC6A2 13/4885SLC6A4 1/4885CYP1A2 48/4885

“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.