SCHEMBL8079421

SCHEMBL8079421

CCCC(Oc1ccccc1C)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.69
SLC6A4 P31645 11/20 0.69
SLC6A3 Q01959 5/20 0.69
CYP1A2 P05177 4/20 0.69
CYP3A4 P08684 4/20 0.69
CYP2D6 P10635 4/20 0.69
TSHR P16473 3/20 0.69
CHRM1 P11229 2/20 0.69
ADRA2B P18089 2/20 0.69
HTR2A P28223 2/20 0.69
HTR2C P28335 2/20 0.69
HRH1 P35367 2/20 0.69
OPRM1 P35372 2/20 0.69
DRD3 P35462 2/20 0.69
OPRK1 P41145 2/20 0.69
HTR2B P41595 2/20 0.69
KCNH2 Q12809 2/20 0.69
KLF10 Q13118 2/20 0.69
HRH3 Q9Y5N1 2/20 0.69
KMT2A Q03164 2/20 0.69

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
SCHEMBL14188841 1.00 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
SCHEMBL17694756 0.90 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
SCHEMBL10064914 0.90 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
SCHEMBL5012040 0.86 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
SCHEMBL2208714 0.85 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
SCHEMBL2211203 0.85 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
SCHEMBL2212613 0.85 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
SCHEMBL5114671 0.85 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
SCHEMBL10031213 0.85 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
SCHEMBL7996118 0.85 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4

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 4 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 disclosed
US-20080031932-A1 Transdermal atomoxetine formulations and associated methods WATSON LABORATORIES, INC. (US) 2008-02-07 US disclosed
US-20080004470-A1 Synthesis of Atomoxetine Hydrochloride DR. REDDY'S LABORATORIES LIMITED (IN) 2008-01-03 US disclosed
WO-2006037055-A1 SYNTHESIS OF ATOMOXETINE HYDROCHLORIDE DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-06 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 (2 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 SLC6A2 1/4885SLC6A4 2/4885SLC6A3 3/4885
US-20080031932-A1 Transdermal atomoxetine formulations and associated methods SLC6A4, SLC6A2, CYP2D6 SLC6A2 2/4885SLC6A4 1/4885SLC6A3 8/4885

“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.