SCHEMBL2300239

SCHEMBL2300239

O=C(O)NCCC(c1ccccc1)c1cccc2[nH]ccc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.50
CYP2D6 P10635 1/20 0.50
SLC6A2 P23975 1/20 0.50
KCNH2 Q12809 1/20 0.50
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
CNR1 P21554 3/20 0.44
EPHX2 P34913 2/20 0.44
CNR2 P34972 2/20 0.44
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
HPGDS O60760 1/20 0.41

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
SCHEMBL12426707 0.88 MTNR1A (0.49) SLC6A4CYP2D6SLC6A2KCNH2MTNR1A
SCHEMBL2302744 0.82 SLC6A4 (0.72) SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL2300698 0.77 SLC6A4 (0.47) SLC6A4CYP2D6SLC6A2KCNH2MGAM
SCHEMBL3095729 0.77 HRH1 (0.52) SLC6A4CYP2D6SLC6A2KCNH2MGAM
SCHEMBL2726416 0.76 MTNR1A (0.72) MTNR1AMTNR1BCNR1EPHX2CNR2
SCHEMBL2303546 0.75 SLC6A2 (0.56) SLC6A4SLC6A2MTNR1AMTNR1BCNR1
SCHEMBL2300560 0.75 SLC6A2 (0.70) SLC6A4SLC6A2MTNR1AMTNR1BCNR1
SCHEMBL10502553 0.75 GPR84 (0.57) SLC6A4CYP2D6SLC6A2KCNH2MGAM
SCHEMBL16014125 0.74 MEN1 (0.52) SLC6A4CYP2D6SLC6A2KCNH2MGAM
SCHEMBL27721184 0.74 CYP2D6 (0.42) SLC6A4CYP2D6SLC6A2KCNH2MGAM

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
EP-2351737-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles F. Hoffmann-La Roche AG (CH) 2011-08-03 EP disclosed
US-7803830-B2 3-amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof ROCHE PALO ALTO LLC (US) 2010-09-28 US disclosed
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2009-04-16 US disclosed
US-7446118-B2 3-amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC (US) 2008-11-04 US disclosed
EP-1960355-A1 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-27 EP disclosed
EP-1919854-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2008-05-14 EP disclosed
WO-2007062996-A1 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2007-05-31 US disclosed
WO-2007027651-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-03-08 WO 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-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof IDO1, RB1, AHR SLC6A4 597/4885CYP2D6 27/4885SLC6A2 1181/4885
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof IDO1, RB1, AHR SLC6A4 597/4885CYP2D6 27/4885SLC6A2 1181/4885

“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.