SCHEMBL2074259

SCHEMBL2074259

CNCCC(c1ccccc1)c1c[nH]c2c(NS(C)(=O)=O)cccc12

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.59
CYP2D6 P10635 1/20 0.59
SLC6A2 P23975 1/20 0.59
KCNH2 Q12809 1/20 0.59
NR3C1 P04150 10/20 0.47
PGR P06401 8/20 0.47
NR3C2 P08235 8/20 0.47
AR P10275 8/20 0.47
HTR2A P28223 1/20 0.44
HRH1 P35367 1/20 0.44
PLA2G7 Q13093 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KEAP1 Q14145 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PARP14 Q460N5 1/20 0.39

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
SCHEMBL2072627 0.83 SLC6A2 (0.60) SLC6A4CYP2D6SLC6A2KCNH2NR3C1
SCHEMBL12397686 0.81 NR3C1 (0.47) SLC6A4CYP2D6SLC6A2KCNH2NR3C1
SCHEMBL2071176 0.81 SLC6A4 (0.64) SLC6A4CYP2D6SLC6A2KCNH2HTR2A
SCHEMBL2075044 0.81 SLC6A4 (0.67) SLC6A4CYP2D6SLC6A2KCNH2HTR2A
SCHEMBL2074712 0.81 SLC6A4 (0.67) SLC6A4CYP2D6SLC6A2KCNH2HTR2A
SCHEMBL12397693 0.80 NR3C1 (0.45) NR3C1PGRNR3C2ARPLA2G7
SCHEMBL12933744 0.80 SLC6A4 (0.66) SLC6A4CYP2D6SLC6A2KCNH2HTR2A
SCHEMBL2074877 0.80 SLC6A4 (0.66) SLC6A4CYP2D6SLC6A2KCNH2HTR2A
SCHEMBL12397692 0.79 NR3C1 (0.42) SLC6A4CYP2D6SLC6A2KCNH2NR3C1
SCHEMBL12397541 0.79 NR3C1 (0.43) SLC6A4CYP2D6SLC6A2KCNH2NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863305-B2 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC (US) 2011-01-04 US disclosed
US-7863305-B2 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC (US) 2011-01-04 US disclosed
US-7863305-B2 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC (US) 2011-01-04 US disclosed
EP-1756054-B1 3-AMINO-1-ARYLPROPYL INDOLES AS MONOAMINE REUPTAKE INHIBITOR HOFFMANN LA ROCHE (CH) 2010-03-31 EP disclosed
US-20060025467-A1 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC 2006-02-02 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-20060025467-A1 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors TPH1, HTR1A, HTR3A SLC6A4 14/4885CYP2D6 67/4885SLC6A2 9/4885

“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.