SCHEMBL3229869

SCHEMBL3229869

CNCC[C@@H](c1ccccc1)n1ccc2nccc(OC)c21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 16/20 0.50
SLC6A4 P31645 13/20 0.50
CYP2D6 P10635 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A3 Q01959 1/20 0.43
PMP22 Q01453 1/20 0.43
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
NOS2 P35228 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
SCHEMBL3229889 1.00 SLC6A2 (0.50) SLC6A2SLC6A4CYP2D6MEN1CYP1A2
SCHEMBL3223128 0.86 FGFR1 (0.35) SLC6A2SLC6A4CYP2D6KMT2ASLC6A3
SCHEMBL13678887 0.86 SLC6A2 (0.36) SLC6A2SLC6A4CYP2D6SLC6A3HRH1
SCHEMBL3223123 0.86 FGFR1 (0.35) SLC6A2SLC6A4CYP2D6KMT2ASLC6A3
SCHEMBL3233446 0.85 SLC6A2 (0.51) SLC6A2SLC6A4CYP2D6MEN1CYP1A2
SCHEMBL2074378 0.80 SLC6A2 (0.63) SLC6A2SLC6A4CYP2D6MEN1CYP1A2
SCHEMBL3218825 0.77 SLC6A2 (0.66) SLC6A2SLC6A4HTR2AHRH1
SCHEMBL3225255 0.77 SLC6A2 (0.66) SLC6A2SLC6A4HTR2AHRH1
SCHEMBL2071536 0.75 SLC6A2 (0.63) SLC6A2SLC6A4CYP2D6MEN1CYP1A2
SCHEMBL2074609 0.75 SLC6A2 (0.56) SLC6A2SLC6A4CYP2D6MEN1CYP1A2

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 13 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
EP-1957488-B1 3-AMINO-2-ARYLPROPYL AZAINDOLES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2009-09-09 EP 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 SLC6A2 2283/4885SLC6A4 2174/4885CYP2D6 19/4885
US-20100056499-A1 3-AMINO-1-ARYLPROPYL AZAINDOLES AND USES THEREOF CNKSR1, AR, CYP3A43 SLC6A2 2283/4885SLC6A4 2174/4885CYP2D6 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.