SCHEMBL20180473

SCHEMBL20180473

CC(Cc1ccc2ccccc2c1)NCC(O)c1cc(O)cc(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 1.00
CYP3A4 P08684 3/20 0.71
MAPK1 P28482 3/20 0.71
NPSR1 Q6W5P4 2/20 0.71
CYP2D6 P10635 1/20 0.71
TSHR P16473 1/20 0.71
HIF1A Q16665 1/20 0.71
HSD17B10 Q99714 1/20 0.71
ADRB1 P08588 1/20 0.71
ADORA3 P0DMS8 1/20 0.71
ADRB3 P13945 1/20 0.71
PTGS1 P23219 1/20 0.71
SLC6A2 P23975 1/20 0.71
HTR2A P28223 1/20 0.71
SLC6A4 P31645 1/20 0.71
MC4R P32245 1/20 0.71
ADRA1A P35348 1/20 0.71
OPRM1 P35372 1/20 0.71
MC3R P41968 1/20 0.71
SLC6A3 Q01959 1/20 0.71

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
SCHEMBL18769900 0.90 ADRB2 (0.82) ADRB2CYP3A4MAPK1NPSR1CYP2D6
SCHEMBL18769840 0.90 ADRB2 (0.81) ADRB2CYP3A4MAPK1NPSR1CYP2D6
SCHEMBL18769844 0.88 ADRB2 (0.79) ADRB2CYP3A4MAPK1NPSR1CYP2D6
SCHEMBL7150211 0.85 ADRB2 (1.00) ADRB2CYP3A4MAPK1NPSR1CYP2D6
SCHEMBL7150209 0.85 ADRB2 (1.00) ADRB2CYP3A4MAPK1NPSR1CYP2D6
SCHEMBL18769898 0.85 ADRB2 (0.74) ADRB2CYP3A4MAPK1NPSR1CYP2D6
Fenoterol SCHEMBL5009 0.84 ADRB2 (1.00) ADRB2CYP3A4MAPK1NPSR1CYP2D6
Fenoterol SCHEMBL9971031 0.84 ADRB2 (1.00) ADRB2CYP3A4MAPK1NPSR1CYP2D6
Fenoterol SCHEMBL249376 0.84 ADRB2 (1.00) ADRB2CYP3A4MAPK1NPSR1CYP2D6
Fenoterol SCHEMBL9971023 0.84 ADRB2 (1.00) ADRB2CYP3A4MAPK1NPSR1CYP2D6

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-20180141894-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 SERV (US) 2018-05-24 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-20180141894-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 1/4885CYP3A4 1057/4885MAPK1 4133/4885

“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.