SCHEMBL2300560

SCHEMBL2300560

O=C(O)NCCC(c1ccccc1)c1ccc2[nH]ccc2c1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.70
SLC6A4 P31645 1/20 0.70
SLC6A3 Q01959 1/20 0.70
MTNR1A P48039 3/20 0.48
MTNR1B P49286 3/20 0.48
CNR1 P21554 7/20 0.47
CNR2 P34972 4/20 0.47
EPHX2 P34913 2/20 0.47
CTNNB1 P35222 1/20 0.45
WNT3A P56704 1/20 0.45
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
PTGS2 P35354 1/20 0.43
CASR P41180 1/20 0.43

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
SCHEMBL2303546 0.90 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3MTNR1AMTNR1B
SCHEMBL12427121 0.88 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3MTNR1AMTNR1B
SCHEMBL2302666 0.83 SLC6A4 (1.00) SLC6A2SLC6A4SLC6A3NPC1PTGS2
Hydrochloric Acid SCHEMBL2304625 0.82 SLC6A4 (0.97) SLC6A2SLC6A4SLC6A3NPC1NPSR1
SCHEMBL2300438 0.80 CASR (0.47) SLC6A2SLC6A4SLC6A3MTNR1AMTNR1B
SCHEMBL2305292 0.80 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3CTNNB1WNT3A
SCHEMBL14495283 0.80 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3CTNNB1WNT3A
SCHEMBL2726416 0.78 MTNR1A (0.72) MTNR1AMTNR1BCNR1CNR2EPHX2
SCHEMBL12426747 0.78 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3MTNR1AMTNR1B
SCHEMBL2306870 0.78 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3CTNNB1WNT3A

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 SLC6A2 1181/4885SLC6A4 597/4885SLC6A3 360/4885
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof IDO1, RB1, AHR SLC6A2 1181/4885SLC6A4 597/4885SLC6A3 360/4885

“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.