SCHEMBL13157397

SCHEMBL13157397

[C-]#[N+]c1c[nH]c2ccc(C(CCO)c3ccccc3)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 1/20 0.36
CYP2D6 P10635 1/20 0.35
KCNH2 Q12809 1/20 0.35
MGAM O43451 7/20 0.34
GAA P10253 7/20 0.34
SI P14410 7/20 0.34
MGAM2 Q2M2H8 7/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
POLB P06746 1/20 0.32
SRC P12931 1/20 0.32
HTR1D P28221 1/20 0.32
HTR2C P28335 1/20 0.31
FFAR1 O14842 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL13157425 0.91 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL13157395 0.84 SLC6A4 (0.56) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL13157407 0.79 PNP (0.34)
SCHEMBL13157401 0.79 GPR84 (0.31) GPR84
SCHEMBL13157432 0.78 MAPT (0.39) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL2357362 0.77 IMPDH2 (0.48) SLC6A2SLC6A4SLC6A3CYP2D6MEN1
SCHEMBL13157426 0.77 SLC6A4 (0.53) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL13157387 0.74 SLC6A4 (0.40) SLC6A2SLC6A4CYP2D6KCNH2MGAM
SCHEMBL13157415 0.71 MEN1 (0.37) SLC6A2SLC6A4CYP2D6KCNH2MGAM
SCHEMBL2300728 0.70 IMPDH2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803830-B2 3-amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof ROCHE PALO ALTO LLC (US) 2010-09-28 US disclosed
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2009-04-16 US disclosed
US-7446118-B2 3-amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC (US) 2008-11-04 US disclosed
US-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2007-05-31 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 (2 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-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof IDO1, RB1, AHR SLC6A2 1181/4885SLC6A4 597/4885SLC6A3 360/4885
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof IDO1, RB1, AHR SLC6A2 1181/4885SLC6A4 597/4885SLC6A3 360/4885

“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.