SCHEMBL29771900

SCHEMBL29771900

CC(C)(C)OC(=O)N[C@@H]1CCCc2c(Br)cccc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.43
TAS1R1 Q7RTX1 5/20 0.43
TAS1R2 Q8TE23 5/20 0.43
UCHL1 P09936 1/20 0.42
DRD4 P21917 1/20 0.40
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL13974108 1.00 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2UCHL1DRD4
SCHEMBL13974252 1.00 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2UCHL1DRD4
SCHEMBL1868500 0.93 UCHL1 (0.41) UCHL1KMT2A
SCHEMBL1873295 0.93 UCHL1 (0.41) UCHL1KMT2A
SCHEMBL29771950 0.93 UCHL1 (0.41) UCHL1KMT2A
SCHEMBL1868501 0.93 UCHL1 (0.41) UCHL1KMT2A
SCHEMBL17022083 0.88 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2DRD4LMNA
SCHEMBL22501388 0.86 TAS1R3 (0.55) TAS1R3TAS1R1TAS1R2DRD4CA1
SCHEMBL28677537 0.86 TAS1R3 (0.55) TAS1R3TAS1R1TAS1R2DRD4CA1
SCHEMBL24619645 0.85 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2DRD4LMNA

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-20220220152-A1 BIVALENT ANTAGONISTS OF INHIBITORS OF APOPTOSIS PROTEINS Hepagene Therapeutics (HK) Limited (HK) 2022-07-14 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-20220220152-A1 BIVALENT ANTAGONISTS OF INHIBITORS OF APOPTOSIS PROTEINS BIRC5, BIRC2, BIRC3 TAS1R3 4578/4885TAS1R1 4403/4885TAS1R2 4382/4885

“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.