SCHEMBL26326758

SCHEMBL26326758

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.46
ADRB2 P07550 5/20 0.46
ADRB3 P13945 4/20 0.46
HIF1A Q16665 4/20 0.44
CYP2D6 P10635 2/20 0.44
MAPT P10636 5/20 0.44
TSHR P16473 4/20 0.44
KDM4E B2RXH2 4/20 0.44
TDP1 Q9NUW8 4/20 0.44
MAPK1 P28482 3/20 0.44
HSD17B10 Q99714 3/20 0.44
MEN1 O00255 3/20 0.44
CYP1A2 P05177 3/20 0.44
KMT2A Q03164 3/20 0.44
MTOR P42345 2/20 0.44
LMNA P02545 2/20 0.44
CYP3A4 P08684 2/20 0.44
NFKB1 P19838 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL24303424 0.83 ADRA2A (0.53) ADRB1ADRB2ADRB3HIF1ACYP2D6
SCHEMBL21216528 0.80 ADRB1 (0.44) ADRB1ADRB2ADRB3HIF1AMAPT
SCHEMBL29786456 0.79 CES2 (0.44) ADRB1ADRB2ADRB3MAPTKDM4E
SCHEMBL24370650 0.79 CES2 (0.44) ADRB1ADRB2ADRB3MAPTKDM4E
SCHEMBL22957657 0.78 GAA (0.54) ADRB1ADRB2ADRB3HIF1ACYP2D6
SCHEMBL22957831 0.78 GAA (0.54) ADRB1ADRB2ADRB3HIF1ACYP2D6
SCHEMBL828538 0.76 HIF1A (0.52) ADRB1ADRB2ADRB3HIF1ACYP2D6
SCHEMBL28415306 0.75 CES2 (0.44) ADRB1ADRB3ADRA2AADRA2BADRA2C
SCHEMBL31074206 0.75 CES2 (0.44) ADRB1ADRB3ADRA2AADRA2BADRA2C
SCHEMBL12312536 0.74 CYP2D6 (0.54) ADRB1ADRB2HIF1ACYP2D6TSHR

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 ADRB1 2950/4885ADRB2 3794/4885ADRB3 2851/4885

“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.