SCHEMBL1714656

SCHEMBL1714656

CC(C1=N[C@@H](C(C)C)CO1)C1=N[C@@H](C(C)C)CO1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL12461086 1.00 NPC1 (0.46) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL12312808 0.86 NPC1 (0.46) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL12312809 0.86 NPC1 (0.46) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL786360 0.86 NPC1 (0.46) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL12461069 0.86 NPC1 (0.37) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL23734239 0.83 NPC1 (0.43) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL14231482 0.83 NPC1 (0.43) NPC1MAPTRAB9ASMN1; SMN2MEN1
Bromide SCHEMBL5618997 0.83 NPC1 (0.43) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL22626440 0.79 NPC1 (0.41) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL5636818 0.79 NPC1 (0.41) NPC1MAPTRAB9ASMN1; SMN2MEN1

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 9 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
EP-1957454-B1 METHODS FOR SYNTHESIS OF 3-AMINO-1-ARYLPROPYL INDOLES HOFFMANN LA ROCHE (CH) 2011-07-20 EP disclosed
US-7598399-B2 Methods for synthesis of 3-amino-1-arylpropyl indoles ROCHE PALO ALTO LLC (US) 2009-10-06 US disclosed
US-7598399-B2 Methods for synthesis of 3-amino-1-arylpropyl indoles ROCHE PALO ALTO LLC (US) 2009-10-06 US disclosed
US-7598399-B2 Methods for synthesis of 3-amino-1-arylpropyl indoles ROCHE PALO ALTO LLC (US) 2009-10-06 US disclosed
US-20070135647-A1 Methods for synthesis of 3-amino-1-arylpropyl indoles ROCHE PALO ALTO LLC 2007-06-14 US disclosed
US-20070135647-A1 Methods for synthesis of 3-amino-1-arylpropyl indoles ROCHE PALO ALTO LLC 2007-06-14 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20070135647-A1 Methods for synthesis of 3-amino-1-arylpropyl indoles TPH1, TPH2, HTR1A NPC1 2800/4885MAPT 614/4885RAB9A 1609/4885

“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.