SCHEMBL6823348

SCHEMBL6823348

Cc1cc(O)ccc1OC(CCN)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 6/20 0.50
SLC6A2 P23975 10/20 0.48
SLC6A4 P31645 11/20 0.48
CYP2D6 P10635 8/20 0.48
SLC6A3 Q01959 4/20 0.48
CYP1A2 P05177 4/20 0.48
CYP3A4 P08684 4/20 0.48
KCNH2 Q12809 3/20 0.48
TSHR P16473 3/20 0.48
CHRM1 P11229 2/20 0.48
ADRA2B P18089 2/20 0.48
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
HRH1 P35367 2/20 0.48
OPRM1 P35372 2/20 0.48
DRD3 P35462 2/20 0.48
OPRK1 P41145 2/20 0.48
HTR2B P41595 2/20 0.48
KLF10 Q13118 2/20 0.48
HRH3 Q9Y5N1 2/20 0.48

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
SCHEMBL12841456 1.00 NOS2 (0.50) NOS2SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL4623634 0.84 SLC6A4 (0.71) NOS2SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL30501482 0.84 SLC6A4 (0.71) NOS2SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL8082370 0.84 SLC6A4 (0.71) NOS2SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL24177878 0.83 SLC6A4 (0.56) NOS2SLC6A2SLC6A4CYP2D6SLC6A3
Hydrochloric Acid SCHEMBL4625001 0.83 SLC6A2 (0.71) NOS2SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL6823741 0.82 SLC6A2 (0.41) NOS2SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL4624371 0.82 SLC6A2 (0.68) NOS2SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL2212613 0.82 SLC6A2 (0.68) NOS2SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL2633864 0.82 SLC6A2 (0.68) NOS2SLC6A2SLC6A4CYP2D6SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008076229-A1 ATOMOXETINE FORMULATIONS AND ASSOCIATED METHODS WATSON LABORATORIES, INC. (US) 2008-06-26 WO disclosed
US-20080145318-A1 ATOMOXETINE FORMULATIONS AND ASSOCIATED METHODS WATSON LABORATORIES 2008-06-19 US disclosed
US-20080145318-A1 ATOMOXETINE FORMULATIONS AND ASSOCIATED METHODS WATSON LABORATORIES 2008-06-19 US disclosed
EP-1379492-A1 INHIBITOR OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2004-01-14 EP disclosed
WO-2002070457-A1 INHIBITOR OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2002-09-12 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 (1 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-20080145318-A1 ATOMOXETINE FORMULATIONS AND ASSOCIATED METHODS SLC6A4, SLC6A2, SLC6A3 NOS2 2480/4885SLC6A2 2/4885SLC6A4 1/4885

“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.