SCHEMBL26326729

SCHEMBL26326729

CC(C)(C)NCCC(O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.48
ADRB1 P08588 4/20 0.48
LMNA P02545 3/20 0.48
TSHR P16473 2/20 0.48
HTR1A P08908 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1A P35348 1/20 0.48
OPRK1 P41145 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KDM4E B2RXH2 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2D6 P10635 2/20 0.42
NFKB1 P19838 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP1A2 P05177 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL28320405 0.84 ADRB2 (0.67) ADRB2ADRB1LMNATSHRHTR1A
Hydrochloric Acid SCHEMBL8923703 0.83 LMNA (0.68) ADRB2ADRB1LMNATSHRHTR1A
SCHEMBL24303162 0.82 SLC6A4 (0.51) LMNASLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL26326744 0.82 GAA (0.52) ADRB2ADRB1LMNATSHRHTR1A
SCHEMBL24303132 0.82 GAA (0.52) ADRB2ADRB1LMNATSHRHTR1A
SCHEMBL22957650 0.82 GAA (0.52) ADRB2ADRB1LMNATSHRHTR1A
SCHEMBL24685389 0.82 SLC6A2 (0.39) ADRB2ADRB1LMNATSHRHTR1A
SCHEMBL6017681 0.80 ADRB3 (0.48) ADRB2ADRB1TSHRHTR1ASLC6A2
SCHEMBL26328006 0.78 ALDH1A1 (0.43) LMNAHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL758732 0.78 SLC6A2 (0.49) LMNASLC6A2SLC6A4SLC6A3CYP3A4

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 ADRB2 3794/4885ADRB1 2950/4885LMNA 3958/4885

“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.