SCHEMBL3214832

SCHEMBL3214832

COc1ccnc2c1ccn2C(CCO)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.38
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 3/20 0.34
KMT2A Q03164 2/20 0.34
CYP19A1 P11511 1/20 0.34
MEN1 O00255 1/20 0.34
OPRK1 P41145 3/20 0.33
SLC40A1 Q9NP59 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EGFR P00533 1/20 0.33
OPRM1 P35372 2/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
LMNA P02545 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
CYP2D6 P10635 1/20 0.32
HTR7 P34969 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL3233446 0.86 SLC6A2 (0.51) SLC6A2SLC6A4KMT2AMEN1CYP2D6
SCHEMBL3225687 0.82 MAPT (0.43) TNFKMT2AMEN1SLC40A1HTT
SCHEMBL3226971 0.82 SLC40A1 (0.35) SLC6A2SLC6A4KMT2ACYP19A1MEN1
SCHEMBL6997083 0.80 HTR2C (0.47) TNFSLC6A2SLC6A4OPRK1OPRM1
SCHEMBL3223128 0.72 FGFR1 (0.35) SLC6A2SLC6A4KMT2ACYP19A1OPRK1
SCHEMBL13678887 0.72 SLC6A2 (0.36) SLC6A2SLC6A4CYP19A1OPRK1OPRM1
SCHEMBL3223123 0.72 FGFR1 (0.35) SLC6A2SLC6A4KMT2ACYP19A1OPRK1
SCHEMBL13597632 0.71 PDE4D (0.38) KMT2AMEN1LMNA
SCHEMBL3229869 0.71 SLC6A2 (0.50) SLC6A2SLC6A4KMT2AMEN1CYP2D6
SCHEMBL3229889 0.71 SLC6A2 (0.50) SLC6A2SLC6A4KMT2AMEN1CYP2D6

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 14 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-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 TNF 3556/4885SLC6A2 2283/4885SLC6A4 2174/4885
US-20100056499-A1 3-AMINO-1-ARYLPROPYL AZAINDOLES AND USES THEREOF CNKSR1, AR, CYP3A43 TNF 3556/4885SLC6A2 2283/4885SLC6A4 2174/4885

“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.