SCHEMBL2074098

SCHEMBL2074098

CNCCC(c1ccc(OC)cc1)c1c[nH]c2c(Cl)cccc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.52
SLC6A2 P23975 2/20 0.52
CYP2D6 P10635 1/20 0.52
KCNH2 Q12809 1/20 0.52
HAT1 O14929 3/20 0.48
EP300 Q09472 3/20 0.48
MGAM O43451 2/20 0.42
GAA P10253 2/20 0.42
SI P14410 2/20 0.42
MGAM2 Q2M2H8 2/20 0.42
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
NR3C2 P08235 1/20 0.41
AR P10275 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NR4A2 P43354 1/20 0.40
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38

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
SCHEMBL3153034 0.89 SLC6A4 (0.50) SLC6A4SLC6A2CYP2D6KCNH2HAT1
SCHEMBL2074877 0.88 SLC6A4 (0.66) SLC6A4SLC6A2CYP2D6KCNH2HAT1
SCHEMBL2071705 0.83 HDAC3 (0.47) SLC6A4SLC6A2CYP2D6KCNH2HAT1
SCHEMBL12933607 0.83 SLC6A4 (0.53) SLC6A4SLC6A2CYP2D6KCNH2MGAM
SCHEMBL2072650 0.81 SLC6A4 (0.79) SLC6A4SLC6A2CYP2D6KCNH2HAT1
SCHEMBL2071079 0.79 SLC6A4 (0.63) SLC6A4SLC6A2CYP2D6KCNH2HAT1
SCHEMBL2075047 0.76 HTR2A (0.42) SLC6A4SLC6A2HAT1EP300NR3C1
SCHEMBL2075044 0.75 SLC6A4 (0.67) SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL2074712 0.75 SLC6A4 (0.67) SLC6A4SLC6A2CYP2D6KCNH2HAT1
SCHEMBL2074020 0.74 SLC6A4 (0.50) SLC6A4SLC6A2CYP2D6KCNH2MEN1

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 14/4885SLC6A2 9/4885CYP2D6 67/4885

“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.