SCHEMBL3229415

SCHEMBL3229415

ClCCC(c1ccccc1)n1ccc2nccc(Cl)c21

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.33
SLC6A4 P31645 7/20 0.33
CYP17A1 P05093 1/20 0.32
SLC6A3 Q01959 3/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL3229420 1.00 SLC6A2 (0.33) SLC6A2SLC6A4CYP17A1SLC6A3CYP1A2
SCHEMBL3223128 0.83 FGFR1 (0.35) SLC6A2SLC6A4CYP17A1SLC6A3CYP2D6
SCHEMBL3223123 0.83 FGFR1 (0.35) SLC6A2SLC6A4CYP17A1SLC6A3CYP2D6
SCHEMBL3235118 0.80 ENPP3 (0.39) SLC6A2SLC6A4CYP17A1
SCHEMBL3225487 0.78 SLC6A2 (0.43) SLC6A2SLC6A4
SCHEMBL3227906 0.78 SLC6A2 (0.43) SLC6A2SLC6A4
SCHEMBL20665062 0.70 IRAK4 (0.37)
SCHEMBL3229386 0.70 SLC6A2 (0.43) SLC6A2SLC6A4CYP17A1CYP1A2CYP2D6
SCHEMBL13678887 0.70 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL3223493 0.69 SRC (0.35) SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 2174/4885CYP17A1 562/4885
US-20100056499-A1 3-AMINO-1-ARYLPROPYL AZAINDOLES AND USES THEREOF CNKSR1, AR, CYP3A43 SLC6A2 2283/4885SLC6A4 2174/4885CYP17A1 562/4885

“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.