SCHEMBL1483676

SCHEMBL1483676

CN1CCN(c2ccc(-c3cc4ccc(Cl)cc4[nH]3)cn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 3/20 0.58
HRH4 Q9H3N8 6/20 0.50
HTR3A P46098 1/20 0.50
MGLL Q99685 3/20 0.48
DGAT1 O75907 2/20 0.47
KCNH2 Q12809 2/20 0.47
SOAT1 P35610 1/20 0.47
ALK Q9UM73 2/20 0.46
TDO2 P48775 1/20 0.46
FGFR3 P22607 1/20 0.46
TLR9 Q9NR96 1/20 0.45
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
CHEK1 O14757 1/20 0.43
AURKA O14965 1/20 0.43
JAK2 O60674 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
ABL1 P00519 1/20 0.43
NTRK1 P04629 1/20 0.43

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
SCHEMBL13577809 0.87 HTR3E (0.52) TNKSHTR3AMGLLDGAT1KCNH2
SCHEMBL1484208 0.87 TNKS (0.59) TNKSHRH4HTR3ADGAT1KCNH2
SCHEMBL13577843 0.86 TNKS (0.58) TNKSHRH4HTR3ADGAT1KCNH2
SCHEMBL1484023 0.84 TNKS (0.56) TNKSHRH4DGAT1KCNH2SOAT1
SCHEMBL1484602 0.83 TNKS (0.55) TNKSHRH4DGAT1KCNH2SOAT1
SCHEMBL1483712 0.80 TNKS (0.59) TNKSHRH4DGAT1KCNH2SOAT1
SCHEMBL1484608 0.80 TNKS (0.59) TNKSHRH4DGAT1KCNH2SOAT1
SCHEMBL13577842 0.79 TNKS (0.58) TNKSHRH4HTR3ADGAT1KCNH2
SCHEMBL1423002 0.79 TNKS (0.58) TNKSHRH4HTR3ADGAT1KCNH2
SCHEMBL1424190 0.79 TNKS (0.58) TNKSHRH4DGAT1KCNH2SOAT1

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-20110076230-A1 Novel Substituted Indoles MERCK & CO. INC. 2011-03-31 US 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

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 3337/4885HRH4 1022/4885HTR3A 60/4885

“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.