SCHEMBL3226971

SCHEMBL3226971

COc1ccnc2c1ccn2C(CC=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 1/20 0.35
OPRK1 P41145 2/20 0.34
OPRM1 P35372 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP19A1 P11511 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
GRM1 Q13255 1/20 0.32
CYP24A1 Q07973 1/20 0.32
PDE10A Q9Y233 1/20 0.32
CYP2D6 P10635 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTR7 P34969 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
ATM Q13315 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
SCHEMBL13597632 0.89 PDE4D (0.38) MEN1KMT2A
SCHEMBL3214832 0.82 TNF (0.38) SLC40A1OPRK1OPRM1MEN1KMT2A
SCHEMBL3225687 0.81 MAPT (0.43) SLC40A1MEN1KMT2AHTR1AADRA1D
SCHEMBL3233446 0.80 SLC6A2 (0.51) MEN1KMT2ACYP2D6SLC6A2SLC6A4
SCHEMBL3223123 0.67 FGFR1 (0.35) OPRK1OPRM1KMT2ACYP19A1CYP2D6
SCHEMBL3223128 0.67 FGFR1 (0.35) OPRK1OPRM1KMT2ACYP19A1CYP2D6
SCHEMBL13678887 0.67 SLC6A2 (0.36) OPRK1OPRM1CYP19A1CYP2D6SLC6A2
SCHEMBL2086330 0.66 HTR6 (0.61) SLC40A1MEN1KMT2AL3MBTL1
SCHEMBL3229869 0.65 SLC6A2 (0.50) MEN1KMT2ACYP2D6SLC6A2SLC6A4
SCHEMBL3229889 0.65 SLC6A2 (0.50) MEN1KMT2ACYP2D6SLC6A2SLC6A4

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 9 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
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

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 SLC40A1 3971/4885OPRK1 577/4885OPRM1 1077/4885
US-20100056499-A1 3-AMINO-1-ARYLPROPYL AZAINDOLES AND USES THEREOF CNKSR1, AR, CYP3A43 SLC40A1 3971/4885OPRK1 577/4885OPRM1 1077/4885

“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.