SCHEMBL818210

SCHEMBL818210

CC(=O)OC1CCN(C(=O)OC(C)(C)C)C1Cc1c(Cl)[nH]c2cc(F)ccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD3 Q15059 2/20 0.36
PAK1 Q13153 1/20 0.36
BACE1 P56817 5/20 0.34
BACE2 Q9Y5Z0 3/20 0.34
TACR1 P25103 1/20 0.34
USP30 Q70CQ3 1/20 0.34
OPRK1 P41145 2/20 0.33
APP P05067 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
SLC6A2 P23975 1/20 0.33
HRH2 P25021 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33

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
SCHEMBL820302 1.00 BRD3 (0.36) BRD3PAK1BACE1BACE2TACR1
SCHEMBL819050 0.84 BIRC3 (0.34) BACE1BACE2
SCHEMBL820543 0.84 BIRC3 (0.34) BACE1BACE2
SCHEMBL375340 0.82 GPR84 (0.37) BRD3HTR1ADRD2HTR2AGPR119
SCHEMBL818763 0.81 BIRC3 (0.33)
SCHEMBL820542 0.81 BIRC3 (0.33)
SCHEMBL820709 0.80 KDM4E (0.39) BRD3TACR1DRD2HTR2AHTR2C
SCHEMBL820303 0.79 BIRC3 (0.34)
SCHEMBL818120 0.79 BIRC3 (0.34)
SCHEMBL818119 0.79 BIRC3 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288116-A1 IAP INHIBITORS TETRALOGIC PHARMACEUITCAL CORPORATION (US) 2011-11-24 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-20110288116-A1 IAP INHIBITORS XIAP, BIRC5, BIRC7 BRD3 1466/4885PAK1 909/4885BACE1 521/4885

“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.