SCHEMBL2071176

SCHEMBL2071176

CCc1cccc2c(C(CCNC)c3ccccc3)c[nH]c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.64
SLC6A2 P23975 3/20 0.64
CYP2D6 P10635 1/20 0.64
KCNH2 Q12809 1/20 0.64
HTR2A P28223 2/20 0.49
HRH1 P35367 2/20 0.49
UBE2N P61088 1/20 0.47
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SLC6A3 Q01959 1/20 0.41
GPR84 Q9NQS5 2/20 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
SCHEMBL2071173 0.88 SLC6A4 (0.49) SLC6A4SLC6A2CYP2D6KCNH2UBE2N
SCHEMBL2074712 0.85 SLC6A4 (0.67) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL2075044 0.85 SLC6A4 (0.67) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL12933744 0.84 SLC6A4 (0.66) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL2074877 0.84 SLC6A4 (0.66) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL2073574 0.83 SLC6A4 (0.62) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL27683049 0.82 UBE2N (0.47) SLC6A4SLC6A2CYP2D6KCNH2UBE2N
SCHEMBL2071079 0.81 SLC6A4 (0.63) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL2074259 0.81 SLC6A4 (0.59) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL2071174 0.81 UBE2N (0.50) SLC6A4SLC6A2CYP2D6KCNH2UBE2N

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.