SCHEMBL13232126

SCHEMBL13232126

CCC(C)NCC(O)c1cc(O)cc(O)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.71
TSHR P16473 2/20 0.71
HIF1A Q16665 2/20 0.71
ADRA1A P35348 2/20 0.71
CYP3A4 P08684 3/20 0.65
MAPK1 P28482 3/20 0.65
NPSR1 Q6W5P4 2/20 0.65
CYP2D6 P10635 1/20 0.65
HSD17B10 Q99714 1/20 0.65
ADRB1 P08588 1/20 0.65
ADORA3 P0DMS8 1/20 0.65
ADRB3 P13945 1/20 0.65
PTGS1 P23219 1/20 0.65
SLC6A2 P23975 1/20 0.65
HTR2A P28223 1/20 0.65
SLC6A4 P31645 1/20 0.65
MC4R P32245 1/20 0.65
OPRM1 P35372 1/20 0.65
MC3R P41968 1/20 0.65
SLC6A3 Q01959 1/20 0.65

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
SCHEMBL4627976 0.86 ADRB2 (0.71) ADRB2TSHRHIF1AADRA1ACYP3A4
Metaproterenol SCHEMBL3694829 0.83 ADRB2 (1.00) ADRB2TSHRHIF1AADRA1ACYP3A4
Metaproterenol SCHEMBL4451598 0.83 ADRB2 (1.00) ADRB2TSHRHIF1AADRA1ACYP3A4
Metaproterenol SCHEMBL4270 0.83 ADRB2 (1.00) ADRB2TSHRHIF1AADRA1ACYP3A4
Metaproterenol SCHEMBL4271 0.83 ADRB2 (1.00) ADRB2TSHRHIF1AADRA1ACYP3A4
SCHEMBL2488461 0.82 ADRB2 (1.00) ADRB2TSHRHIF1AADRA1ACYP3A4
SCHEMBL29854020 0.82 ADRB2 (1.00) ADRB2TSHRHIF1AADRA1ACYP3A4
SCHEMBL2488460 0.82 ADRB2 (1.00) ADRB2TSHRHIF1AADRA1ACYP3A4
SCHEMBL19329750 0.82 ADRB2 (0.67) ADRB2TSHRHIF1AADRA1ACYP3A4
Metaproterenol SCHEMBL6141868 0.81 ADRB2 (0.96) ADRB2TSHRHIF1AADRA1ACYP3A4

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-20100168245-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)-OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2010-07-01 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-20100168245-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)-OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE ADRB2, ADRB1, ADRB3 ADRB2 1/4885TSHR 89/4885HIF1A 1880/4885

“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.