SCHEMBL4938893

SCHEMBL4938893

CCC(c1cccc(Cl)c1)c1ccccc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.51
TYR P14679 2/20 0.51
ACHE P22303 2/20 0.51
NPSR1 Q6W5P4 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CNR2 P34972 1/20 0.44
IDO1 P14902 2/20 0.44
TDO2 P48775 2/20 0.44
AOC3 Q16853 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PDE1B Q01064 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40

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
SCHEMBL11291158 0.83 IDO1 (0.55) BCHETYRACHENPSR1L3MBTL1
Ammonia Solution, Strong SCHEMBL6001490 0.81 IDO1 (0.53) BCHETYRACHENPSR1L3MBTL1
SCHEMBL17071892 0.81 ACP3 (0.47) NPSR1ALDH1A1LMNAAOC3MEN1
SCHEMBL16771227 0.81 ACP3 (0.46) NPSR1LMNAAOC3MEN1KMT2A
SCHEMBL6487591 0.81 PDE1B (0.43) NPSR1L3MBTL1ALDH1A1CNR2IDO1
Ammonia Solution, Strong SCHEMBL5999526 0.80 BCHE (0.50) BCHETYRACHENPSR1L3MBTL1
Ammonia Solution, Strong SCHEMBL5999329 0.79 OPRM1 (0.44) NPSR1LMNAAOC3MEN1KMT2A
SCHEMBL11750476 0.79 IDO1 (0.53) BCHETYRACHENPSR1L3MBTL1
SCHEMBL7306575 0.79 HTR6 (0.54) NPSR1L3MBTL1ALDH1A1LMNAMAPT
Ammonia Solution, Strong SCHEMBL6001135 0.77 IDO1 (0.52) BCHETYRACHENPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004470-A1 Synthesis of Atomoxetine Hydrochloride DR. REDDY'S LABORATORIES LIMITED (IN) 2008-01-03 US disclosed
EP-1794112-A1 SYNTHESIS OF ATOMOXETINE HYDROCHLORIDE Dr. Reddy's Laboratories Ltd. (IN) 2007-06-13 EP 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 (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-20080004470-A1 Synthesis of Atomoxetine Hydrochloride SLC6A2, SLC6A4, SLC6A3 BCHE 1791/4885TYR 78/4885ACHE 231/4885

“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.