SCHEMBL3226153

SCHEMBL3226153

CNCC[C@H](c1ccccc1)c1c[nH]c2ncccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.67
SLC6A2 P23975 4/20 0.67
CYP2D6 P10635 1/20 0.67
KCNH2 Q12809 1/20 0.67
HTR2A P28223 2/20 0.51
HRH1 P35367 2/20 0.51
MET P08581 2/20 0.48
GPR84 Q9NQS5 1/20 0.47
GRM8 O00222 1/20 0.45
GRM4 Q14833 1/20 0.45
SLC6A3 Q01959 1/20 0.42
CDC7 O00311 4/20 0.42
CCNE1 P24864 4/20 0.42
CDK2 P24941 4/20 0.42
DBF4 Q9UBU7 4/20 0.42
HTR1B P28222 1/20 0.41
MTOR P42345 1/20 0.41
AXL P30530 1/20 0.41
MTNR1A P48039 1/20 0.40
RET P07949 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
SCHEMBL3222298 1.00 SLC6A4 (0.67) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL3222313 1.00 SLC6A4 (0.67) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL3226994 0.91 SLC6A4 (0.56) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL3233544 0.90 SLC6A4 (0.55) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL28777520 0.81 MET (0.49) SLC6A4SLC6A2CYP2D6KCNH2MET
SCHEMBL2074218 0.81 SLC6A4 (1.00) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL3226280 0.81 SLC6A4 (0.66) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL3232638 0.80 SLC6A4 (0.72) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL3215303 0.80 SLC6A4 (0.72) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL3215106 0.79 MGAM (0.46) SLC6A4SLC6A2CYP2D6KCNH2MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957488-B1 3-AMINO-2-ARYLPROPYL AZAINDOLES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2009-09-09 EP claimed
EP-1957488-A1 3-AMINO-2-ARYLPROPYL AZAINDOLES AND USES THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 EP claimed
WO-2007062998-A1 3-AMINO-2-ARYLPROPYL AZAINDOLES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO claimed
US-20100056499-A1 3-AMINO-1-ARYLPROPYL AZAINDOLES AND USES THEREOF GREENHOUSE ROBERT 2010-03-04 US disclosed
US-20100056499-A1 3-AMINO-1-ARYLPROPYL AZAINDOLES AND USES THEREOF GREENHOUSE ROBERT 2010-03-04 US disclosed
US-20100056499-A1 3-AMINO-1-ARYLPROPYL AZAINDOLES AND USES THEREOF GREENHOUSE ROBERT 2010-03-04 US disclosed
US-7638517-B2 3-Amino-1-arylpropyl azaindoles and uses thereof ROCHE PALO ALTO LLC (US) 2009-12-29 US disclosed
US-7638517-B2 3-Amino-1-arylpropyl azaindoles and uses thereof ROCHE PALO ALTO LLC (US) 2009-12-29 US disclosed
US-7638517-B2 3-Amino-1-arylpropyl azaindoles and uses thereof ROCHE PALO ALTO LLC (US) 2009-12-29 US disclosed
EP-1957488-B1 3-AMINO-2-ARYLPROPYL AZAINDOLES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2009-09-09 EP disclosed
EP-1957488-B1 3-AMINO-2-ARYLPROPYL AZAINDOLES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2009-09-09 EP disclosed
EP-1957488-A1 3-AMINO-2-ARYLPROPYL AZAINDOLES AND USES THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 EP disclosed
WO-2007062998-A1 3-AMINO-2-ARYLPROPYL AZAINDOLES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
WO-2007062998-A1 3-AMINO-2-ARYLPROPYL AZAINDOLES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070123535-A1 3-Amino-1-arylpropyl azaindoles and uses thereof ROCHE PALO ALTO LLC 2007-05-31 US disclosed
US-20070123535-A1 3-Amino-1-arylpropyl azaindoles and uses thereof ROCHE PALO ALTO LLC 2007-05-31 US disclosed
US-20070123535-A1 3-Amino-1-arylpropyl azaindoles 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-20070123535-A1 3-Amino-1-arylpropyl azaindoles and uses thereof CNKSR1, AR, CYP3A43 SLC6A4 2174/4885SLC6A2 2283/4885CYP2D6 19/4885
US-20100056499-A1 3-AMINO-1-ARYLPROPYL AZAINDOLES AND USES THEREOF CNKSR1, AR, CYP3A43 SLC6A4 2174/4885SLC6A2 2283/4885CYP2D6 19/4885

“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.