SCHEMBL2074372

SCHEMBL2074372

CNCCC(c1ccc2c(c1)OCO2)c1c[nH]c2cccc(Cl)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
CYP2D6 P10635 1/20 0.46
KCNH2 Q12809 1/20 0.46
TP53 P04637 2/20 0.41
MAP2K4 P45985 1/20 0.40
GPR55 Q9Y2T6 2/20 0.40
HTR1A P08908 1/20 0.40
CNR1 P21554 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
BLM P54132 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL2069976 0.81 SLC6A4 (0.67) SLC6A2SLC6A4CYP2D6KCNH2GPR84
SCHEMBL2075066 0.81 SLC6A4 (0.67) SLC6A2SLC6A4CYP2D6KCNH2GPR84
SCHEMBL2069979 0.81 SLC6A4 (0.67) SLC6A2SLC6A4CYP2D6KCNH2GPR84
SCHEMBL2074223 0.81 SLC6A4 (0.52) SLC6A2SLC6A4CYP2D6KCNH2GPR84
SCHEMBL2075118 0.78 SLC6A4 (0.51) SLC6A2SLC6A4CYP2D6KCNH2HTR1A
SCHEMBL2073965 0.78 SLC6A4 (0.67) SLC6A2SLC6A4CYP2D6KCNH2HTR1A
SCHEMBL12933607 0.78 SLC6A4 (0.53) SLC6A2SLC6A4CYP2D6KCNH2CNR1
SCHEMBL3165791 0.77 DRD2 (0.43) SLC6A2SLC6A4CYP2D6KCNH2GPR84
SCHEMBL2074694 0.76 SLC6A4 (0.51) SLC6A2SLC6A4CYP2D6KCNH2GPR84
SCHEMBL2071694 0.76 SLC6A2 (0.51) SLC6A2SLC6A4CYP2D6KCNH2GPR84

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 SLC6A2 9/4885SLC6A4 14/4885CYP2D6 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.