SCHEMBL20836632

SCHEMBL20836632

CCC[C@@H](C)NCC(O)c1ccc(O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 15/20 0.72
HIF1A Q16665 2/20 0.56
ALDH1A1 P00352 1/20 0.56
HTR1A P08908 1/20 0.56
THPO P40225 1/20 0.56
BLM P54132 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NMUR2 Q9GZQ4 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
KDM4E B2RXH2 1/20 0.56
CYP2C9 P11712 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
CYP3A4 P08684 3/20 0.54
MAPK1 P28482 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
CYP2D6 P10635 1/20 0.54
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ADRB1 P08588 1/20 0.54
ADORA3 P0DMS8 1/20 0.54

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
SCHEMBL20819512 1.00 ADRB2 (0.72) ADRB2HIF1AALDH1A1HTR1ATHPO
SCHEMBL20819511 1.00 ADRB2 (0.72) ADRB2HIF1AALDH1A1HTR1ATHPO
SCHEMBL19330048 1.00 ADRB2 (0.72) ADRB2HIF1AALDH1A1HTR1ATHPO
Acetic Acid SCHEMBL20819508 0.93 ADRB2 (0.63) ADRB2HIF1AALDH1A1HTR1ATHPO
Acetic Acid SCHEMBL19329777 0.93 ADRB2 (0.63) ADRB2HIF1AALDH1A1HTR1ATHPO
Acetic Acid SCHEMBL20819510 0.93 ADRB2 (0.63) ADRB2HIF1AALDH1A1HTR1ATHPO
SCHEMBL20833680 0.87 ADRB2 (0.55) ADRB2HIF1AALDH1A1TDP1KDM4E
SCHEMBL20833677 0.87 ADRB2 (0.55) ADRB2HIF1AALDH1A1TDP1KDM4E
SCHEMBL20833683 0.87 ADRB2 (0.55) ADRB2HIF1AALDH1A1TDP1KDM4E
SCHEMBL19329750 0.86 ADRB2 (0.67) ADRB2HIF1AALDH1A1HTR1ATHPO

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11793774-B2 Chiral beta-hydroxyethylamines and their use in the treatment of hyperglycemia ATROGI AB (SE) 2023-10-24 US disclosed
US-11793774-B2 Chiral beta-hydroxyethylamines and their use in the treatment of hyperglycemia ATROGI AB (SE) 2023-10-24 US disclosed
US-20200268687-A1 CHIRAL BETA-HYDROXYETHYLAMINES AND THEIR USE IN THE TREATMENT OF HYPERGLYCEMIA ATROGI AB (SE) 2020-08-27 US disclosed
US-20200268687-A1 CHIRAL BETA-HYDROXYETHYLAMINES AND THEIR USE IN THE TREATMENT OF HYPERGLYCEMIA ATROGI AB (SE) 2020-08-27 US disclosed
WO-2019053429-A1 CHIRAL BETA-HYDROXYETHYLAMINES AND THEIR USE IN THE TREATMENT OF HYPERGLYCEMIA ATROGI AB (SE) 2019-03-21 WO 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 (2 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-11793774-B2 Chiral beta-hydroxyethylamines and their use in the treatment of hyperglycemia GPR119, SLC5A1, SLC5A2 ADRB2 54/4885HIF1A 445/4885ALDH1A1 832/4885
US-20200268687-A1 CHIRAL BETA-HYDROXYETHYLAMINES AND THEIR USE IN THE TREATMENT OF HYPERGLYCEMIA GPR119, SLC5A1, SLC5A2 ADRB2 54/4885HIF1A 445/4885ALDH1A1 832/4885

“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.