SCHEMBL12427129

SCHEMBL12427129

CNOC(=O)CC(c1ccccc1)c1cc2[nH]ccc2cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 2/20 0.42
WNT3A P56704 2/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MAPK14 Q16539 3/20 0.40
IRAK4 Q9NWZ3 2/20 0.39
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
BACE1 P56817 2/20 0.36
APP P05067 2/20 0.36
MAPT P10636 2/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36

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
SCHEMBL2303050 0.87 CTNNB1 (0.43) CTNNB1WNT3ASLC6A2SLC6A4SLC6A3
SCHEMBL2303120 0.86 CTNNB1 (0.43) CTNNB1WNT3ASLC6A2SLC6A4SLC6A3
SCHEMBL13157420 0.80 CNR2 (0.35) SLC6A2SLC6A4SLC6A3MAPTALDH1A1
SCHEMBL12426748 0.80 KEAP1 (0.41) SLC6A2SLC6A4SLC6A3MAPTTUBB4A
SCHEMBL2306873 0.79 SLC6A4 (0.62) CTNNB1WNT3ASLC6A2SLC6A4SLC6A3
SCHEMBL12427136 0.79 TACR1 (0.41) KDM4EMGAMGAASIMGAM2
SCHEMBL12427578 0.76 SLC6A2 (0.43) CTNNB1WNT3ASLC6A2SLC6A4SLC6A3
SCHEMBL12426919 0.75 ALDH1A1 (0.48) CTNNB1WNT3AMAPK14BACE1APP
SCHEMBL13157430 0.72 PDE4D (0.46) SLC6A2SLC6A4SLC6A3BACE1
SCHEMBL13157431 0.72 BACE1 (0.41) SLC6A2SLC6A4SLC6A3BACE1APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2351737-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles F. Hoffmann-La Roche AG (CH) 2011-08-03 EP disclosed
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
WO-2007062996-A1 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO 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
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 CTNNB1 588/4885WNT3A 205/4885SLC6A2 1181/4885
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof IDO1, RB1, AHR CTNNB1 588/4885WNT3A 205/4885SLC6A2 1181/4885

“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.