SCHEMBL5162645

SCHEMBL5162645

CNCC[C@H](Oc1ccccc1C)c1cccc(F)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 16/20 0.73
SLC6A2 P23975 13/20 0.73
CYP1A2 P05177 4/20 0.73
CYP3A4 P08684 4/20 0.73
CYP2D6 P10635 4/20 0.73
TSHR P16473 3/20 0.73
SLC6A3 Q01959 3/20 0.73
CHRM1 P11229 2/20 0.73
ADRA2B P18089 2/20 0.73
HTR2A P28223 2/20 0.73
HTR2C P28335 2/20 0.73
HRH1 P35367 2/20 0.73
OPRM1 P35372 2/20 0.73
DRD3 P35462 2/20 0.73
OPRK1 P41145 2/20 0.73
HTR2B P41595 2/20 0.73
KCNH2 Q12809 2/20 0.73
KLF10 Q13118 2/20 0.73
HRH3 Q9Y5N1 2/20 0.73
KMT2A Q03164 2/20 0.73

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
SCHEMBL5162653 1.00 SLC6A4 (0.73) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL2615186 0.87 SLC6A4 (0.81) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL21222911 0.86 SLC6A4 (0.62) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
Atomoxetine SCHEMBL2209541 0.85 SLC6A4 (1.00) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
Atomoxetine SCHEMBL29440242 0.85 SLC6A4 (1.00) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
Atomoxetine SCHEMBL5783906 0.85 SLC6A4 (1.00) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
Atomoxetine SCHEMBL341802 0.85 SLC6A4 (1.00) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
Atomoxetine SCHEMBL34268 0.85 SLC6A4 (1.00) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
Atomoxetine SCHEMBL12047445 0.85 SLC6A4 (1.00) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL5161697 0.84 SLC6A4 (0.50) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6

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
EP-1790337-A2 Methods and compounds for treating depression and other disorders NPS PHARMACEUTICALS, INC. (US) 2007-05-30 EP disclosed
EP-1096926-B1 METHODS AND COMPOUNDS FOR TREATING DEPRESSION NPS PHARMA INC (US) 2007-02-28 EP disclosed
US-20040039014-A1 Methods and compounds for treating depression and other disorders NPS PHARMACEUTICALS, INC. 2004-02-26 US 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-20040039014-A1 Methods and compounds for treating depression and other disorders GRIN1, GRIN2C, GRIN3B SLC6A4 24/4885SLC6A2 89/4885CYP1A2 2625/4885

“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.