SCHEMBL5117790

SCHEMBL5117790

CN1CCCN(c2cc(Oc3cccc4cc(C(=O)O)n(C)c34)ccn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.39
PRKCQ Q04759 1/20 0.39
HTR3A P46098 1/20 0.38
PIM2 Q9P1W9 3/20 0.38
PIM1 P11309 2/20 0.38
HRH3 Q9Y5N1 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RAD52 P43351 1/20 0.37
UBE2N P61088 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CSNK2A2 P19784 1/20 0.36
CSNK2A1 P68400 1/20 0.36
WNT1 P04628 1/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
MCL1 Q07820 1/20 0.36

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
SCHEMBL4047150 0.96 HTR3A (0.41) HRH4HTR3AKDM4ERAD52UBE2N
SCHEMBL5125717 0.87 HTR2C (0.38) KDM4EMEN1KMT2AGFER
SCHEMBL5117672 0.83 GFER (0.36) KDM4EL3MBTL1MEN1KMT2AMCL1
SCHEMBL5117664 0.83 HRH3 (0.41) HRH3MEN1KMT2A
SCHEMBL5685421 0.82 GSK3A (0.44)
SCHEMBL5251593 0.81 BRAF (0.33) HTR3AMEN1KMT2AWNT1CLK2
SCHEMBL5685416 0.81 GSK3A (0.42)
SCHEMBL5117800 0.80 SLC6A4 (0.42) KDM4EMEN1KMT2AWNT1GSK3B
SCHEMBL5251590 0.80 SCN9A (0.34) MEN1KMT2AFGFR1FGFR2FGFR3
SCHEMBL4047440 0.79 MAP3K7 (0.39) MCL1HSD17B10MAP3K7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
US-20060235017-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-10-19 US disclosed
US-7078419-B2 N-aryl-7-(pyridin-4yl-methyl-, oxy-, thio-or amino-)indole-2-carbonamide derivatives, e.g., 7-(2,6-Dimethyl-pyridin-4-yloxy)-1H-indole-2-carboxylic acid (5-tert-butyl-3-methanesulfonylamino-2-methoxy-phenyl)-amide; treating chronic inflammatory diseases and anticoagulant or fibrinolytic therapy BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-07-18 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-20060235017-A1 Cytokine Inhibitors IL1B, IL1A, IL1R1 HRH4 350/4885PRKCQ 2905/4885HTR3A 2573/4885

“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.