SCHEMBL4258447

SCHEMBL4258447

Cc1ccccc1O[C@](C)(CCN)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
KIF11 P52732 6/20 0.38
ALDH1A1 P00352 3/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
NOTUM Q6P988 1/20 0.38
AOC2 O75106 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
SCN4A P35499 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL5120304 1.00 TAAR1 (0.39) TAAR1KIF11ALDH1A1DRD2DRD4
Hydrochloric Acid SCHEMBL4730956 0.98 SMN1; SMN2 (0.39) TAAR1KIF11ALDH1A1DRD2DRD4
SCHEMBL5481115 0.80 ALDH1A1 (0.54) ALDH1A1KDM4ETDP1
SCHEMBL6563061 0.80 TAAR1 (0.36) TAAR1KIF11SMN1; SMN2KDM4ETDP1
SCHEMBL5527328 0.80 TAAR1 (0.44) TAAR1KIF11SMN1; SMN2KMT2AKCNH2
Hydrochloric Acid SCHEMBL654753 0.79 SMN1; SMN2 (0.36) TAAR1KIF11SMN1; SMN2KDM4ETDP1
SCHEMBL5533209 0.77 KIF11 (0.49) TAAR1KIF11DRD2DRD4SMN1; SMN2
SCHEMBL5288256 0.75 SCN4A (0.37) KIF11ALDH1A1NOTUMSCN4ASMN1; SMN2
SCHEMBL5530178 0.74 KIF11 (0.49) KIF11ALDH1A1DRD2DRD4HTT
SCHEMBL9707204 0.73 MAPK1 (0.52) TAAR1ALDH1A1DRD2DRD4NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569729-B2 Analyzing stability of atomoxetine hydrochloride by determining pH of sample of atomoxetine hydrochloride in aqueous solution; stable atomoxetine hydrochloride contains reduced amount of free hydrogen chloride, such that an aqueous solution has a pH of 4-7; shelf life, purity; attention-deficit disorder TEVA PHARMACEUTICAL FINE CHEMICALS S.R.L. (IT) 2009-08-04 US disclosed
US-20080146675-A1 Stable Atomoxetine Hydrochloride, a process for the preparation thereof, and an analytical control of its stability CASTELLI EUGENIO 2008-06-19 US disclosed
EP-1889828-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) 2008-02-20 EP disclosed
EP-1751085-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) 2007-02-14 EP disclosed
US-20060252836-A1 Stable atomoxetine hydrochloride, a process for the preparation thereof, and an analytical control of its stability TEVA PHARMACEUTICALS USA, INC. 2006-11-09 US 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

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-20060252836-A1 Stable atomoxetine hydrochloride, a process for the preparation thereof, and an analytical control of its stability SLC6A4, SLC6A2, HTR5A TAAR1 99/4885KIF11 1023/4885ALDH1A1 1302/4885
US-20080146675-A1 Stable Atomoxetine Hydrochloride, a process for the preparation thereof, and an analytical control of its stability SLC6A4, SLC6A2, HTR5A TAAR1 99/4885KIF11 1023/4885ALDH1A1 1302/4885

“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.