SCHEMBL1423002

SCHEMBL1423002

CN1CCN(c2ccc(-c3cc4cc(Br)ccc4[nH]3)cn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNKS O95271 4/20 0.58
TLR9 Q9NR96 4/20 0.47
TLR8 Q9NR97 4/20 0.47
TLR7 Q9NYK1 4/20 0.47
DGAT1 O75907 1/20 0.47
SOAT1 P35610 1/20 0.47
KCNH2 Q12809 1/20 0.47
CYP19A1 P11511 1/20 0.46
TDO2 P48775 1/20 0.46
FGFR3 P22607 1/20 0.46
HRH4 Q9H3N8 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
ALK Q9UM73 1/20 0.42
HTR3A P46098 1/20 0.41
FYN P06241 2/20 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
SCHEMBL1484608 0.87 TNKS (0.59) TNKSTLR9TLR8TLR7DGAT1
SCHEMBL1483712 0.87 TNKS (0.59) TNKSTLR9TLR8TLR7DGAT1
SCHEMBL13577842 0.86 TNKS (0.58) TNKSTLR9TLR8TLR7DGAT1
SCHEMBL1424190 0.86 TNKS (0.58) TNKSTLR9TLR8TLR7DGAT1
SCHEMBL1484021 0.84 TNKS (0.56) TNKSTLR9TLR8TLR7DGAT1
SCHEMBL1421333 0.83 TNKS (0.55) TNKSTLR9TLR8TLR7DGAT1
SCHEMBL1484208 0.80 TNKS (0.59) TNKSTLR9TLR8TLR7DGAT1
SCHEMBL13577843 0.79 TNKS (0.58) TNKSTLR9TLR8TLR7DGAT1
SCHEMBL1483676 0.79 TNKS (0.58) TNKSTLR9TLR8TLR7DGAT1
SCHEMBL1484023 0.77 TNKS (0.56) TNKSTLR9TLR8TLR7DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110076230-A1 Novel Substituted Indoles MERCK & CO. INC. 2011-03-31 US claimed
EP-2296474-A1 NOVEL SUBSTITUTED INDOLES Merck Sharp & Dohme Corp. (US) 2011-03-23 EP claimed
WO-2009155024-A1 NOVEL SUBSTITUTED INDOLES MERCK & CO., INC. (US) 2009-12-23 WO claimed
US-20110076230-A1 Novel Substituted Indoles MERCK & CO. INC. 2011-03-31 US disclosed
US-20110076230-A1 Novel Substituted Indoles MERCK & CO. INC. 2011-03-31 US disclosed
US-20110076230-A1 Novel Substituted Indoles MERCK & CO. INC. 2011-03-31 US disclosed
WO-2009155024-A1 NOVEL SUBSTITUTED INDOLES MERCK & CO., INC. (US) 2009-12-23 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-20110076230-A1 Novel Substituted Indoles APP, BACE1, PSEN1 TNKS 3337/4885TLR9 4733/4885TLR8 4680/4885

“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.