SCHEMBL26326744

SCHEMBL26326744

CC(C)(C)NCCC(O)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
AOC3 Q16853 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 1/20 0.42
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
HIF1A Q16665 1/20 0.41
LMNA P02545 2/20 0.41
HTR1A P08908 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRK1 P41145 1/20 0.41
SLC6A3 Q01959 1/20 0.41
BLM P54132 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL24303132 1.00 GAA (0.52) GAAAOC3NPSR1KMT2AADRB2
SCHEMBL22957650 1.00 GAA (0.52) GAAAOC3NPSR1KMT2AADRB2
SCHEMBL24302604 0.83 KMT2A (0.51) GAAAOC3KMT2AADRB2ADRB1
SCHEMBL2294136 0.82 ADRB2 (0.58) KMT2AADRB2ADRB1CYP2D6NFKB1
SCHEMBL2295878 0.82 ADRB2 (0.58) KMT2AADRB2ADRB1CYP2D6NFKB1
SCHEMBL16368620 0.82 RIPK1 (0.59) AOC3ADRB2ADRB1CYP2D6NFKB1
SCHEMBL29225657 0.82 ADRB2 (0.58) KMT2AADRB2ADRB1CYP2D6NFKB1
SCHEMBL26326729 0.82 ADRB2 (0.48) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL6017681 0.81 ADRB3 (0.48) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL14353961 0.81 GAA (0.54) GAAAOC3KMT2AHIF1ALMNA

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-11767322-B2 Triazolopyridinyl compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-09-26 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-11767322-B2 Triazolopyridinyl compounds as kinase inhibitors RIPK1, RIPK3, RIPK4 GAA 3743/4885AOC3 4822/4885NPSR1 4063/4885

“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.