SCHEMBL1714535

SCHEMBL1714535

CNCCC(c1ccccc1)c1c[nH]c2cccc(OC)c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.64
SLC6A2 P23975 7/20 0.64
CYP2D6 P10635 4/20 0.64
KCNH2 Q12809 2/20 0.64
SLC6A3 Q01959 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 3/20 0.50
MEN1 O00255 2/20 0.50
TSHR P16473 2/20 0.50
CYP2C19 P33261 1/20 0.50
PMP22 Q01453 2/20 0.49
HTR2A P28223 3/20 0.49
HRH1 P35367 2/20 0.49
HTR6 P50406 2/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
MMP9 P14780 1/20 0.42
TP53 P04637 1/20 0.41
ALOX15 P16050 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
SCHEMBL2073643 1.00 SLC6A4 (0.64) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
SCHEMBL1714532 1.00 SLC6A4 (0.64) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
Hydrochloric Acid SCHEMBL2071435 0.99 SLC6A2 (0.63) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
Hydrochloric Acid SCHEMBL2071436 0.99 SLC6A2 (0.63) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
Iodide SCHEMBL2071566 0.99 SLC6A2 (0.63) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
Iodide SCHEMBL2071562 0.99 SLC6A2 (0.63) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
SCHEMBL2074104 0.93 SLC6A4 (0.55) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
SCHEMBL2072912 0.92 SLC6A4 (0.54) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
SCHEMBL2074376 0.91 SLC6A4 (0.53) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
SCHEMBL2070997 0.91 SLC6A4 (0.53) SLC6A4SLC6A2CYP2D6KCNH2SLC6A3

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957454-B1 METHODS FOR SYNTHESIS OF 3-AMINO-1-ARYLPROPYL INDOLES HOFFMANN LA ROCHE (CH) 2011-07-20 EP disclosed
US-7863305-B2 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC (US) 2011-01-04 US disclosed
US-7863305-B2 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC (US) 2011-01-04 US disclosed
US-7863305-B2 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC (US) 2011-01-04 US disclosed
EP-1756054-B1 3-AMINO-1-ARYLPROPYL INDOLES AS MONOAMINE REUPTAKE INHIBITOR HOFFMANN LA ROCHE (CH) 2010-03-31 EP disclosed
EP-1756054-B1 3-AMINO-1-ARYLPROPYL INDOLES AS MONOAMINE REUPTAKE INHIBITOR HOFFMANN LA ROCHE (CH) 2010-03-31 EP disclosed
US-7598399-B2 Methods for synthesis of 3-amino-1-arylpropyl indoles ROCHE PALO ALTO LLC (US) 2009-10-06 US disclosed
EP-1957454-A1 METHODS FOR SYNTHESIS OF 3-AMINO-1-ARYLPROPYL INDOLES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 EP disclosed
US-20070135647-A1 Methods for synthesis of 3-amino-1-arylpropyl indoles ROCHE PALO ALTO LLC 2007-06-14 US disclosed
WO-2007062994-A1 METHODS FOR SYNTHESIS OF 3-AMINO-1-ARYLPROPYL INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
EP-1756054-A1 3-AMINO-1-ARYLPROPYL INDOLES AS MONOAMINE REUPTAKE INHIBITOR F.HOFFMANN-LA ROCHE AG (CH) 2007-02-28 EP disclosed
US-20060025467-A1 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC 2006-02-02 US disclosed
WO-2005118539-A1 3-AMINO-1-ARYLPROPYL INDOLES AS MONOAMINE REUPTAKE INHIBITOR F.HOFFMANN-LA ROCHE AG (CH) 2005-12-15 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-20060025467-A1 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors TPH1, HTR1A, HTR3A SLC6A4 14/4885SLC6A2 9/4885CYP2D6 67/4885
US-20070135647-A1 Methods for synthesis of 3-amino-1-arylpropyl indoles TPH1, TPH2, HTR1A SLC6A4 27/4885SLC6A2 24/4885CYP2D6 178/4885

“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.