SCHEMBL26075439

SCHEMBL26075439

CC(C)NC[C@H](O)COCC(C)NC[C@H](O)CO

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.42
ADRB1 P08588 5/20 0.42
ADRB3 P13945 3/20 0.42
CYP2D6 P10635 1/20 0.42
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL4373913 0.80
SCHEMBL4139553 0.80
SCHEMBL4374793 0.80
SCHEMBL179147 0.75 ADRB2 (0.49) ADRB2ADRB1ADRB3CYP2D6PTGS1
SCHEMBL22519414 0.75 ADRB2 (0.41) ADRB2ADRB1ADRB3CYP2D6MEN1
SCHEMBL11159331 0.74 KDM4E (0.48) ADRB2ADRB1ADRB3CYP2D6PTGS1
SCHEMBL23976280 0.73 ADRB2 (0.53) ADRB2ADRB1ADRB3CYP2D6PTGS1
Acetone SCHEMBL10800590 0.72 ADRB2 (0.42) ADRB2ADRB1ADRB3CYP2D6MEN1
SCHEMBL9759886 0.70 ADRB2 (0.50) ADRB2ADRB1ADRB3CYP2D6PTGS1
SCHEMBL4845727 0.70 ADRB2 (0.54) ADRB2ADRB1ADRB3CYP2D6PTGS1

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-20230303494-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2023-09-28 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-20230303494-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF CD274, PDCD1, PDCD1LG2 ADRB2 1642/4885ADRB1 577/4885ADRB3 2442/4885

“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.