SCHEMBL5014117

SCHEMBL5014117

CNCCC(Oc1cccc(C)c1)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.75
SLC6A2 P23975 5/20 0.60
CYP2D6 P10635 5/20 0.59
CYP1A2 P05177 4/20 0.59
CYP3A4 P08684 4/20 0.59
CHRM1 P11229 3/20 0.59
TSHR P16473 3/20 0.59
ADRA2B P18089 3/20 0.59
HTR2A P28223 3/20 0.59
HTR2C P28335 3/20 0.59
HRH1 P35367 3/20 0.59
OPRM1 P35372 3/20 0.59
OPRK1 P41145 3/20 0.59
HTR2B P41595 3/20 0.59
SLC6A3 Q01959 3/20 0.59
KCNH2 Q12809 3/20 0.59
HRH3 Q9Y5N1 3/20 0.59
LMNA P02545 3/20 0.59
KMT2A Q03164 3/20 0.59
DRD3 P35462 2/20 0.59

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
SCHEMBL31733949 1.00 SLC6A4 (0.75) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
SCHEMBL30163449 1.00 SLC6A4 (0.75) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
SCHEMBL1200912 1.00 SLC6A4 (0.75) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
SCHEMBL1200769 1.00 SLC6A4 (0.75) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL17685573 0.99 SLC6A4 (0.73) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL4941955 0.99 SLC6A4 (0.73) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
SCHEMBL8197696 0.86 SLC6A4 (1.00) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
SCHEMBL5011928 0.86 SLC6A4 (1.00) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
SCHEMBL7053900 0.86 SLC6A4 (0.75) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL4941345 0.85 SLC6A4 (0.97) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761478-B1 AN ISOLATED ATOMOXETINE IMPURITY, PROCESSES FOR THE PREPARATION OF ATOMOXETINE IMPURITIES AND THEIR USE AS REFERENCE STANDARDS TEVA PHARM FINE CHEMICALS SRL (IT) 2008-09-03 EP claimed
CN-119595799-A Reversed-phase high performance liquid chromatography for one-test-multiple-evaluation detection of tomoxetine hydrochloride oral dissolved impurities C, D, E 重庆希尔安药业有限公司 2025-03-11 CN 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-20160107983-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF 3-ARYLOXY-3-PHENYLPROPYLAMINE AND SALT THEREOF COHANCE LIFESCIENCES LIMITED (IN) 2016-04-21 US disclosed
EP-1761478-B1 AN ISOLATED ATOMOXETINE IMPURITY, PROCESSES FOR THE PREPARATION OF ATOMOXETINE IMPURITIES AND THEIR USE AS REFERENCE STANDARDS TEVA PHARM FINE CHEMICALS SRL (IT) 2008-09-03 EP disclosed
EP-1761478-B1 AN ISOLATED ATOMOXETINE IMPURITY, PROCESSES FOR THE PREPARATION OF ATOMOXETINE IMPURITIES AND THEIR USE AS REFERENCE STANDARDS TEVA PHARM FINE CHEMICALS SRL (IT) 2008-09-03 EP disclosed
EP-1761478-B1 AN ISOLATED ATOMOXETINE IMPURITY, PROCESSES FOR THE PREPARATION OF ATOMOXETINE IMPURITIES AND THEIR USE AS REFERENCE STANDARDS TEVA PHARM FINE CHEMICALS SRL (IT) 2008-09-03 EP disclosed
US-7378553-B2 Isolated atomoxetine impurity, processes for the preparation of atomoxetine impurities and their use as reference standards TEVA PHARMACEUTICAL FINE CHEMICALS S.R.L. (IT) 2008-05-27 US disclosed
US-7378553-B2 Isolated atomoxetine impurity, processes for the preparation of atomoxetine impurities and their use as reference standards TEVA PHARMACEUTICAL FINE CHEMICALS S.R.L. (IT) 2008-05-27 US disclosed
US-20080004470-A1 Synthesis of Atomoxetine Hydrochloride DR. REDDY'S LABORATORIES LIMITED (IN) 2008-01-03 US disclosed
US-20080004470-A1 Synthesis of Atomoxetine Hydrochloride DR. REDDY'S LABORATORIES LIMITED (IN) 2008-01-03 US disclosed
CN-1946678-A Isolated atomoxetine impurity, processes for the preparation of atomoxetine impurities and their use as reference standards TEVA PHARM FINE CHEMICALS SRL (IT) 2007-04-11 CN disclosed
EP-1761478-A2 AN ISOLATED ATOMOXETINE IMPURITY, PROCESSES FOR THE PREPARATION OF ATOMOXETINE IMPURITIES AND THEIR USE AS REFERENCE STANDARDS Teva Pharmaceutical Fine Chemicals S.R.L. (IT) 2007-03-14 EP disclosed
EP-1761478-A2 AN ISOLATED ATOMOXETINE IMPURITY, PROCESSES FOR THE PREPARATION OF ATOMOXETINE IMPURITIES AND THEIR USE AS REFERENCE STANDARDS Teva Pharmaceutical Fine Chemicals S.R.L. (IT) 2007-03-14 EP disclosed
WO-2006004979-A3 AN ISOLATED ATOMOXETINE IMPURITY, PROCESSES FOR THE PREPARATION OF ATOMOXETINE IMPURITIES AND THEIR USE AS REFERENCE STANDARDS TEVA PHARM FINE CHEMICALS SRL (IT) 2006-04-13 WO disclosed
WO-2006037055-A1 SYNTHESIS OF ATOMOXETINE HYDROCHLORIDE DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-06 WO disclosed
WO-2006004979-A2 AN ISOLATED ATOMOXETINE IMPURITY, PROCESSES FOR THE PREPARATION OF ATOMOXETINE IMPURITIES AND THEIR USE AS REFERENCE STANDARDS TEVA PHARMACEUTICAL FINE CHEMICALS S.R.L. (IT) 2006-01-12 WO disclosed
WO-2006004979-A2 AN ISOLATED ATOMOXETINE IMPURITY, PROCESSES FOR THE PREPARATION OF ATOMOXETINE IMPURITIES AND THEIR USE AS REFERENCE STANDARDS TEVA PHARMACEUTICAL FINE CHEMICALS S.R.L. (IT) 2006-01-12 WO disclosed
US-20060009532-A1 Isolated atomoxetine impurity, processes for the preparation of atomoxetine impurities and their use as reference standards TEVA PHARMCEUTICALS USA, INC. 2006-01-12 US disclosed
EP-1346977-A1 Method for producing aryl-aminopropanols Bayer Aktiengesellschaft (DE) 2003-09-24 EP 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-20080004470-A1 Synthesis of Atomoxetine Hydrochloride SLC6A2, SLC6A4, SLC6A3 SLC6A4 2/4885SLC6A2 1/4885CYP2D6 6/4885
US-20060009532-A1 Isolated atomoxetine impurity, processes for the preparation of atomoxetine impurities and their use as reference standards PNMT, HTR3C, TH SLC6A4 34/4885SLC6A2 22/4885CYP2D6 158/4885
US-20160107983-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF 3-ARYLOXY-3-PHENYLPROPYLAMINE AND SALT THEREOF PAH, TYR, NAT1 SLC6A4 162/4885SLC6A2 76/4885CYP2D6 336/4885

“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.