SCHEMBL2074232

SCHEMBL2074232

CNCCC(c1ccccc1)c1c[nH]c2c(OC)ccc(C#N)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.47
SLC6A4 P31645 12/20 0.47
CYP2D6 P10635 10/20 0.47
NOS2 P35228 7/20 0.47
KCNH2 Q12809 3/20 0.47
HTR2A P28223 2/20 0.42
HRH1 P35367 2/20 0.42
SLC6A3 Q01959 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
PMP22 Q01453 1/20 0.40
IMPDH2 P12268 1/20 0.36
IMPDH1 P20839 1/20 0.36
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
THPO P40225 1/20 0.34

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
SCHEMBL2071262 0.92 SLC6A2 (0.47) SLC6A2SLC6A4CYP2D6NOS2KCNH2
SCHEMBL2074703 0.84 SLC6A4 (0.50) SLC6A2SLC6A4CYP2D6KCNH2HTR2A
SCHEMBL2072941 0.81 SLC6A2 (0.41) SLC6A2SLC6A4CYP2D6NOS2KCNH2
SCHEMBL2072801 0.80 SLC6A2 (0.51) SLC6A2SLC6A4CYP2D6KCNH2HTR2A
SCHEMBL2074656 0.80 SLC6A4 (0.63) SLC6A2SLC6A4CYP2D6NOS2KCNH2
SCHEMBL2073941 0.79 SLC6A4 (0.50) SLC6A2SLC6A4CYP2D6KCNH2HTR2A
SCHEMBL2074020 0.79 SLC6A4 (0.50) SLC6A2SLC6A4CYP2D6NOS2KCNH2
SCHEMBL31663237 0.78 IMPDH2 (0.44) IMPDH2IMPDH1
SCHEMBL2071079 0.78 SLC6A4 (0.63) SLC6A2SLC6A4CYP2D6KCNH2HTR2A
SCHEMBL2305891 0.77 SLC6A2 (0.47) SLC6A2SLC6A4CYP2D6NOS2KCNH2

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.