SCHEMBL2302923

SCHEMBL2302923

CNCCC(c1cccnc1)c1ccc2cc[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 7/20 0.61
▸ SLC6A4 P31645 7/20 0.61
▸ SLC6A3 Q01959 6/20 0.61
▸ HTR2A P28223 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ CYP2D6 P10635 4/20 0.41
▸ KCNH2 Q12809 4/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ HTR1B P28222 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ EPHX2 P34913 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ CFTR P13569 1/20 0.36
▸ GOPC Q9HD26 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ BACE1 P56817 1/20 0.36

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
SCHEMBL2303008 0.86 SLC6A4 (0.80) SLC6A2SLC6A4SLC6A3HTR2AHRH1
SCHEMBL13182137 0.84 PDE4D (0.41) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL2303500 0.84 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HTR2AHRH1
SCHEMBL27742060 0.82 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL2303152 0.81 SLC6A2 (0.80) SLC6A2SLC6A4SLC6A3HTR2AHRH1
SCHEMBL2300415 0.81 SLC6A4 (0.64) SLC6A2SLC6A4SLC6A3HTR2AHRH1
SCHEMBL2301836 0.81 KCNA5 (0.45) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL2305905 0.80 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3HTR2AHRH1
SCHEMBL13157430 0.79 PDE4D (0.46) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL2303674 0.79 SLC6A4 (0.64) SLC6A2SLC6A4SLC6A3HTR2AHRH1

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 17 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
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-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-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-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2009-04-16 — — 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
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
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
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
US-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2007-05-31 — — US 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.

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