SCHEMBL4938883

SCHEMBL4938883

COc1ccccc1C(CCCl)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.50
KMT2A Q03164 9/20 0.50
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
SLC6A2 P23975 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.42
PMP22 Q01453 1/20 0.42
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL6330054 0.84 MEN1 (0.51) MEN1KMT2AIDO1TDO2OPRM1
SCHEMBL11387106 0.82 MEN1 (0.50) MEN1KMT2AIDO1TDO2OPRM1
SCHEMBL6001484 0.82 HRH1 (0.59) MEN1KMT2AIDO1TDO2OPRM1
SCHEMBL11291158 0.81 IDO1 (0.55) MEN1KMT2AIDO1TDO2OPRM1
Ammonia Solution, Strong SCHEMBL6001490 0.79 IDO1 (0.53) MEN1KMT2AIDO1TDO2OPRM1
SCHEMBL9230337 0.79 HTR2A (0.65) MEN1KMT2AIDO1TDO2OPRM1
SCHEMBL14880260 0.78 LMNA (0.53) MEN1KMT2AIDO1TDO2OPRM1
SCHEMBL2086020 0.78 IDO1 (0.56) MEN1KMT2AIDO1TDO2L3MBTL1
SCHEMBL21495213 0.78 IDO1 (0.56) MEN1KMT2AIDO1TDO2L3MBTL1
SCHEMBL5667382 0.78 IDO1 (0.51) MEN1KMT2AIDO1TDO2CYP1A2

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 MEN1 4678/4885KMT2A 368/4885IDO1 726/4885

“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.