SCHEMBL12426669

SCHEMBL12426669

CNCCC(c1ccc(OC)cc1)c1ccc2cc[nH]c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.62
▸ SLC6A4 P31645 2/20 0.62
▸ SLC6A3 Q01959 1/20 0.62
▸ KMT2A Q03164 6/20 0.52
▸ MEN1 O00255 5/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ ESR1 P03372 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.43
▸ HTR2A P28223 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ CNR1 P21554 3/20 0.41
▸ GPR55 Q9Y2T6 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ HTT P42858 3/20 0.41
▸ CNR2 P34972 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ MITF O75030 2/20 0.41
▸ GPR35 Q9HC97 1/20 0.41
▸ XBP1 P17861 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
Hydrochloric Acid SCHEMBL3103009 0.99 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL3103388 0.89 SLC6A4 (0.61) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL2303008 0.87 SLC6A4 (0.80) SLC6A2SLC6A4SLC6A3HRH3HTR2A
SCHEMBL2303674 0.85 SLC6A4 (0.64) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL2303152 0.84 SLC6A2 (0.80) SLC6A2SLC6A4SLC6A3KMT2AMEN1
Hydrochloric Acid SCHEMBL3099753 0.84 SLC6A4 (0.63) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL2302866 0.82 SLC6A4 (0.58) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL2300720 0.80 BACE1 (0.50) KMT2AMEN1MAPK1POLBESR1
SCHEMBL2300415 0.79 SLC6A4 (0.64) SLC6A2SLC6A4SLC6A3HTR2AHRH1
SCHEMBL4891453 0.79 BACE1 (0.52) KMT2AMEN1MAPK1POLBESR1

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 10 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-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-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
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

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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