SCHEMBL4941291

SCHEMBL4941291

CNC(CC(Oc1ccc(C)cc1)c1ccccc1)OC(=O)C(=O)OC(CC(Oc1ccccc1C)c1ccccc1)NC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.47
CYP1A2 P05177 4/20 0.47
CYP3A4 P08684 4/20 0.47
SLC6A2 P23975 4/20 0.47
CYP2D6 P10635 3/20 0.47
CHRM1 P11229 2/20 0.47
TSHR P16473 2/20 0.47
ADRA2B P18089 2/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
HRH1 P35367 2/20 0.47
OPRM1 P35372 2/20 0.47
DRD3 P35462 2/20 0.47
OPRK1 P41145 2/20 0.47
HTR2B P41595 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KCNH2 Q12809 2/20 0.47
KLF10 Q13118 2/20 0.47
HRH3 Q9Y5N1 2/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL16347642 0.92 SLC6A9 (0.47) SLC6A4CYP1A2CYP3A4SLC6A2CYP2D6
SCHEMBL4936018 0.84 CYP1A2 (0.43) SLC6A4CYP1A2CYP3A4SLC6A2CYP2D6
SCHEMBL5403848 0.81 SLC6A2 (0.50) SLC6A4CYP1A2CYP3A4SLC6A2CYP2D6
SCHEMBL5029640 0.81 SLC6A2 (0.50) SLC6A4CYP1A2CYP3A4SLC6A2CYP2D6
SCHEMBL8011874 0.76 NOS2 (0.47) SLC6A4SLC6A2CYP2D6TSHRKCNH2
SCHEMBL11357411 0.76 ALDH1A1 (0.41) SLC6A4SLC6A2KCNH2KMT2AALDH1A1
SCHEMBL7310728 0.75 SLC6A9 (0.49) SLC6A4LMNASLC6A9NPSR1HTR1A
SCHEMBL4740090 0.75 UTS2R (0.42) SLC6A4SLC6A9HTR1APPARGPPARA
SCHEMBL10155 0.74 TRPM8 (0.42) SLC6A2TP53HPGD
SCHEMBL2526 0.74 HTT (0.44) SLC6A4TSHRALDH1A1

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
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
WO-2006009884-A1 3-ARYLOXY-3-ARYLPROPYLAMINE SYNTHESIS DR. REDDY'S LABORATORIES LTD. (IN) 2006-01-26 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 SLC6A4 2/4885CYP1A2 55/4885CYP3A4 86/4885

“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.