SCHEMBL13157388

SCHEMBL13157388

[C-]#[N+]c1c[nH]c2cccc(C(CCNC)c3ccccc3)c12

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 4/20 0.60
▸ SLC6A2 P23975 3/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ KCNH2 Q12809 1/20 0.60
▸ HTR2A P28223 5/20 0.48
▸ HRH1 P35367 2/20 0.48
▸ SLC6A3 Q01959 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HTR1B P28222 1/20 0.34
▸ MTOR P42345 1/20 0.34

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
SCHEMBL13157387 0.85 SLC6A4 (0.40) SLC6A4SLC6A2CYP2D6KCNH2KDM4E
SCHEMBL13157416 0.83 SLC6A4 (0.49) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL2301865 0.78 SLC6A4 (0.60) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL13157426 0.77 SLC6A4 (0.53) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL13157395 0.77 SLC6A4 (0.56) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL2075086 0.77 SLC6A4 (0.69) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL2073872 0.76 SLC6A4 (0.67) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL2069976 0.76 SLC6A4 (0.67) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL2075066 0.76 SLC6A4 (0.67) SLC6A4SLC6A2CYP2D6KCNH2HTR2A
SCHEMBL2071842 0.76 SLC6A4 (0.67) SLC6A4SLC6A2CYP2D6KCNH2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 SLC6A4 597/4885SLC6A2 1181/4885CYP2D6 27/4885
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof IDO1, RB1, AHR SLC6A4 597/4885SLC6A2 1181/4885CYP2D6 27/4885

“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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