SCHEMBL5118560

SCHEMBL5118560

CN(C)C1CCN(c2nccc(Oc3cccc4cc(C(=O)O)n(C)c34)n2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.40
RBP4 P02753 6/20 0.38
TTR P02766 5/20 0.38
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HCRTR1 O43613 3/20 0.35
HCRTR2 O43614 3/20 0.35
ALDH1A1 P00352 1/20 0.35
PLG P00747 2/20 0.35
PLAU P00749 2/20 0.35
PLAT P00750 2/20 0.35
HTR1D P28221 2/20 0.34
HTR3A P46098 2/20 0.34
HTR6 P50406 2/20 0.34
TMEM97 Q5BJF2 2/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR1B P28222 1/20 0.34
MAPK8 P45983 1/20 0.34
SLC6A3 Q01959 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
SCHEMBL5111728 0.95 ALDH1A1 (0.38) DYRK1ARBP4TTRHCRTR1HCRTR2
SCHEMBL5119338 0.84 KDM4E (0.39) HRH3ALDH1A1DRD2
SCHEMBL4047440 0.84 MAP3K7 (0.39) ALDH1A1
SCHEMBL5114170 0.82 ACHE (0.36) HCRTR1HCRTR2ALDH1A1SLC6A3
SCHEMBL5118555 0.81 PIK3CD (0.36) ALDH1A1HTR6DRD2
SCHEMBL5119462 0.81 MAPK14 (0.39) HCRTR1HCRTR2ALDH1A1
SCHEMBL5125191 0.81 ACHE (0.43) HCRTR1HCRTR2ALDH1A1
SCHEMBL5123585 0.79 MCL1 (0.40) ALDH1A1
SCHEMBL14276224 0.78 MAPK14 (0.51)
SCHEMBL5126300 0.77 CHRNA7 (0.39) DYRK1AHCRTR1HCRTR2

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-20060235017-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-10-19 US claimed
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 DYRK1A 4119/4885RBP4 2649/4885TTR 1662/4885

“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.