SCHEMBL5011928

SCHEMBL5011928

CNCCC(Oc1ccccc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 1.00
KMT2A Q03164 6/20 0.73
CYP2D6 P10635 6/20 0.73
CYP3A4 P08684 6/20 0.73
SLC6A2 P23975 6/20 0.73
MEN1 O00255 5/20 0.73
LMNA P02545 5/20 0.73
SLC6A3 Q01959 5/20 0.73
CYP1A2 P05177 5/20 0.73
HTR2C P28335 4/20 0.73
TSHR P16473 4/20 0.73
CYP2C19 P33261 3/20 0.73
CHRM1 P11229 3/20 0.73
ADRA2B P18089 3/20 0.73
HTR2A P28223 3/20 0.73
HRH1 P35367 3/20 0.73
OPRM1 P35372 3/20 0.73
OPRK1 P41145 3/20 0.73
HTR2B P41595 3/20 0.73
KCNH2 Q12809 3/20 0.73

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
SCHEMBL8197696 1.00 SLC6A4 (1.00) SLC6A4KMT2ACYP2D6CYP3A4SLC6A2
Hydrochloric Acid SCHEMBL4941345 0.98 SLC6A4 (0.97) SLC6A4KMT2ACYP2D6CYP3A4SLC6A2
SCHEMBL5015289 0.90 SLC6A4 (0.82) SLC6A4KMT2ACYP2D6CYP3A4SLC6A2
SCHEMBL13107035 0.90 SLC6A4 (0.82) SLC6A4KMT2ACYP2D6CYP3A4SLC6A2
SCHEMBL5268848 0.90 SLC6A4 (0.82) SLC6A4KMT2ACYP2D6CYP3A4SLC6A2
SCHEMBL7055186 0.89 SLC6A4 (1.00) SLC6A4KMT2ACYP2D6CYP3A4SLC6A2
Hydrochloric Acid SCHEMBL4942454 0.89 SLC6A4 (0.79) SLC6A4KMT2ACYP2D6CYP3A4SLC6A2
Hydrochloric Acid SCHEMBL17685574 0.89 SLC6A4 (0.79) SLC6A4KMT2ACYP2D6CYP3A4SLC6A2
SCHEMBL7051333 0.89 SLC6A4 (1.00) SLC6A4KMT2ACYP2D6CYP3A4SLC6A2
SCHEMBL2615209 0.89 SLC6A4 (1.00) SLC6A4KMT2ACYP2D6CYP3A4SLC6A2

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 18 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
EP-0831799-B1 COMPOUNDS ACTIVE AT A NOVEL SITE ON RECEPTOR-OPERATED CALCIUM CHANNELS USEFUL FOR TREATMENT OF NEUROLOGICAL DISORDERS NPS PHARMA INC (US) 2003-05-02 EP claimed
US-20150266818-A1 COMPOUNDS AND THEIR SYNTHESIS UCL BUSINESS PLC (GB) 2015-09-24 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
WO-2008062473-A1 PROCESS FOR PREPARING ATOMOXETINE HYDROCHLORIDE CADILA HEALTHCARE LIMITED (IN) 2008-05-29 WO 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
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

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 2/4885KMT2A 368/4885CYP2D6 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 34/4885KMT2A 112/4885CYP2D6 158/4885
US-20150266818-A1 COMPOUNDS AND THEIR SYNTHESIS ARSA, CCNL2, ATXN2L SLC6A4 3095/4885KMT2A 2589/4885CYP2D6 1143/4885

“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.