Atomoxetine

Atomoxetine

SCHEMBL12047445

CNCCC(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 SCHEMBL341802 1.00 SLC6A4 (1.00) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
Atomoxetine SCHEMBL34268 1.00 SLC6A4 (1.00) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
Atomoxetine SCHEMBL5783906 1.00 SLC6A4 (1.00) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
Atomoxetine SCHEMBL2209541 1.00 SLC6A4 (1.00) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
Atomoxetine SCHEMBL29440242 1.00 SLC6A4 (1.00) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
Atomoxetine SCHEMBL2206798 0.98 SLC6A2 (1.00) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
Atomoxetine SCHEMBL649168 0.98 SLC6A2 (1.00) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
Atomoxetine SCHEMBL1560986 0.98 SLC6A2 (1.00) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
Atomoxetine SCHEMBL122111 0.98 SLC6A2 (1.00) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
Atomoxetine SCHEMBL29528186 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 114 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220185801-A1 USE OF SMALL MOLECULE INHIBITORS TO KLF10 FOR MODULATION OF T REGULATORY CELLS AND CANCER IMMUNOTHERAPY THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2022-06-16 — — US disclosed
US-11130734-B2 Amino alcohol-boron-binol complex and method for preparing optically active amino alcohol derivative by using same MOLECULES & MATERIALS CO., LTD. (KR) 2021-09-28 — — US disclosed
US-20210206719-A1 AMINO ALCOHOL-BORON-BINOL COMPLEX AND METHOD FOR PREPARING OPTICALLY ACTIVE AMINO ALCOHOL DERIVATIVE BY USING SAME MOLECULES & MATERIALS CO., LTD. (KR) 2021-07-08 — — US disclosed
US-10954250-B2 Prodrugs of secondary amine compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2021-03-23 — — US disclosed
WO-2021046438-A1 REGENERATING FUNCTIONS AND PHENOTYPES OF CONNECTIVE TISSUE THROUGH NPAS2 SUPPRESSION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-03-11 — — WO disclosed
US-20170121318-A1 USE OF SMALL MOLECULE INHIBITORS TO KLF10 FOR MODULATION OF T REGULATORY CELLS AND CANCER IMMUNOTHERAPY THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2017-05-04 — — US disclosed
US-20170121318-A1 USE OF SMALL MOLECULE INHIBITORS TO KLF10 FOR MODULATION OF T REGULATORY CELLS AND CANCER IMMUNOTHERAPY THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2017-05-04 — — US disclosed
US-9604906-B2 Process for the preparation of 3-aryloxy-3-phenylpropylamine and salt thereof ZCL CHEMICALS LIMITED (IN) 2017-03-28 — — US disclosed
US-9604906-B2 Process for the preparation of 3-aryloxy-3-phenylpropylamine and salt thereof ZCL CHEMICALS LIMITED (IN) 2017-03-28 — — US disclosed
EP-2838510-B1 ATOMOXETINE SOLUTION LILLY CO ELI (US) 2016-09-21 — — EP disclosed
WO-2007030587-A1 PROCESSES FOR THE PREPARATION OF ATOMOXETINE HYDROCHLORIDE TEVA PHARMACEUTICAL FINE CHEMICALS S.R.L. (IT) 2007-03-15 — — WO disclosed
EP-1096926-B1 METHODS AND COMPOUNDS FOR TREATING DEPRESSION NPS PHARMA INC (US) 2007-02-28 — — EP disclosed
WO-2007010082-A1 PROCESS FOR PREPARING A 3-ARYLOXY-3-ARYLPROPYLAMINE FERMION OY (FI) 2007-01-25 — — WO disclosed
WO-2007009405-A1 A METHOD FOR THE PREPARATION OF (R)-N-METHYL-3-(2-METHYLPHENOXY)-3-PHENYLPROPYLAMINE HYDROCHLORIDE (ATOMOXETINE) ZENTIVA, A.S. (CZ) 2007-01-25 — — WO disclosed
WO-2006108120-A1 STABLE ATOMOXETINE HYDROCHLORIDE, A PROCESS FOR THE PREPARATION THEREOF, AND AN ANALYTICAL CONTROL OF ITS STABILITY TEVA PHARMACEUTICAL FINE CHEMICALS S.R.L. (IT) 2006-10-12 — — WO disclosed
WO-2006037055-A1 SYNTHESIS OF ATOMOXETINE HYDROCHLORIDE DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-06 — — WO disclosed
WO-2006020348-A2 POLYMORPHS OF ATOMOXETINE HYDROCHLORIDE TEVA PHARMACEUTICAL FINE CHEMICALS S.R.L. (IT) 2006-02-23 — — WO disclosed
WO-2006004923-A2 ENANTIOMERICALLY PURE ATOMOXETINE AND TOMOXETINE MANDELATE TEVA PHARMACEUTICAL FINE CHEMICALS S.R.L. (IT) 2006-01-12 — — WO disclosed
WO-2006004976-A2 PROCESS FOR THE PREPARATION OF ATOMOXETINE HYDROCHLORIDE TEVA PHARMACEUTICAL FINE CHEMICALS S.R.L. (IT) 2006-01-12 — — WO 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

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-11130734-B2 Amino alcohol-boron-binol complex and method for preparing optically active amino alcohol derivative by using same BCAT1, BCAT2, HBS1L SLC6A2 1343/4885SLC6A4 2273/4885CYP1A2 1742/4885
US-20170121318-A1 USE OF SMALL MOLECULE INHIBITORS TO KLF10 FOR MODULATION OF T REGULATORY CELLS AND CANCER IMMUNOTHERAPY KLF10, KLF5, ICOS SLC6A2 4752/4885SLC6A4 4644/4885CYP1A2 4846/4885
US-10954250-B2 Prodrugs of secondary amine compounds HNMT, MAOB, UGT1A1 SLC6A2 8/4885SLC6A4 106/4885CYP1A2 23/4885
US-20220185801-A1 USE OF SMALL MOLECULE INHIBITORS TO KLF10 FOR MODULATION OF T REGULATORY CELLS AND CANCER IMMUNOTHERAPY KLF10, KLF5, ICOS SLC6A2 4752/4885SLC6A4 4644/4885CYP1A2 4846/4885
US-20210206719-A1 AMINO ALCOHOL-BORON-BINOL COMPLEX AND METHOD FOR PREPARING OPTICALLY ACTIVE AMINO ALCOHOL DERIVATIVE BY USING SAME BCAT1, BCAT2, HBS1L SLC6A2 1133/4885SLC6A4 1828/4885CYP1A2 1885/4885

“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.

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