SCHEMBL2300438

SCHEMBL2300438

O=C(O)NCCC(c1ccccc1)c1cc(Cl)c2[nH]ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASR P41180 6/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
CNR1 P21554 6/20 0.45
CNR2 P34972 4/20 0.45
EPHX2 P34913 3/20 0.45
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL13157405 0.90 CASR (0.47) CASRMTNR1AMTNR1BSLC6A2SLC6A4
SCHEMBL2302969 0.85 SLC6A4 (0.63) CASRSLC6A2SLC6A4SLC6A3
SCHEMBL2300341 0.81 HRH1 (0.50) SLC6A2SLC6A4SLC6A3
SCHEMBL2300560 0.80 SLC6A2 (0.70) CASRMTNR1AMTNR1BSLC6A2SLC6A4
SCHEMBL2301585 0.80 PNP (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL27721267 0.78 AHR (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL2303546 0.78 SLC6A2 (0.56) CASRMTNR1AMTNR1BSLC6A2SLC6A4
SCHEMBL2726416 0.77 MTNR1A (0.72) CASRMTNR1AMTNR1BCNR1CNR2
SCHEMBL12427647 0.74 SLC6A4 (0.53) SLC6A2SLC6A4SLC6A3
SCHEMBL2302789 0.74 CNR1 (0.42) SLC6A2SLC6A4SLC6A3CNR1

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 7 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
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

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 CASR 1111/4885MTNR1A 13/4885MTNR1B 26/4885
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof IDO1, RB1, AHR CASR 1111/4885MTNR1A 13/4885MTNR1B 26/4885

“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.