Metoprolol

Metoprolol

SCHEMBL2124595

COCCc1ccc(OCC(O)CNC(C)C)cc1.Cl.O=C(O)C(O)C(O)C(=O)O

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1

The experimentally established mechanism targets of Metoprolol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 known ✓ P08588 4/20 0.82
TDP1 Q9NUW8 2/20 0.98
NPY1R P25929 1/20 0.98
NPY2R P49146 1/20 0.98
PMP22 Q01453 1/20 0.98
NPSR1 Q6W5P4 1/20 0.98
ADRB2 P07550 4/20 0.82
ADRA1A P35348 2/20 0.82
NR3C1 P04150 1/20 0.82
CYP2D6 P10635 1/20 0.82
CYP2J2 P51589 1/20 0.82
PDE4D Q08499 1/20 0.82
LMNA P02545 2/20 0.60
GAA P10253 1/20 0.60
BLM P54132 1/20 0.60
TMEM97 Q5BJF2 1/20 0.60
SIGMAR1 Q99720 1/20 0.60
ABCB1 P08183 1/20 0.59
CNR1 P21554 1/20 0.59
ADRA1D P25100 1/20 0.59

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
Metoprolol SCHEMBL19211129 0.99 TDP1 (1.00) TDP1NPY1RNPY2RPMP22NPSR1
Metoprolol SCHEMBL41104 0.99 TDP1 (1.00) TDP1NPY1RNPY2RPMP22NPSR1
Metoprolol SCHEMBL1649321 0.99 TDP1 (1.00) TDP1NPY1RNPY2RPMP22NPSR1
Metoprolol SCHEMBL29367290 0.99 TDP1 (1.00) TDP1NPY1RNPY2RPMP22NPSR1
(S)-Metoprolol SCHEMBL141366 0.99 TDP1 (1.00) TDP1NPY1RNPY2RPMP22NPSR1
Metoprolol SCHEMBL29995613 0.99 TDP1 (1.00) TDP1NPY1RNPY2RPMP22NPSR1
Metoprolol SCHEMBL4881939 0.99 TDP1 (1.00) TDP1NPY1RNPY2RPMP22NPSR1
Metoprolol SCHEMBL4879331 0.97 TDP1 (0.96) TDP1NPY1RNPY2RPMP22NPSR1
Metoprolol SCHEMBL28264735 0.96 TDP1 (0.94) TDP1NPY1RNPY2RPMP22NPSR1
(S)-Metoprolol SCHEMBL3123844 0.92 ADRB2 (0.88) TDP1NPY1RNPY2RPMP22NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207219-B2 Ion channel modulating activity I CARDIOME PHARMA CORP. (CA) 2012-06-26 US disclosed
US-20120095073-A1 ION CHANNEL MODULATING ACTIVITY II CARDIOME PHARMA CORP. (CA) 2012-04-19 US disclosed
US-20100120890-A1 ION CHANNEL MODULATING ACTIVITY I CARDIOME PHARMA CORP. (CA) 2010-05-13 US disclosed
US-7674820-B2 Ion channel modulating activity I CARDIOME PHARMA CORP. (CA) 2010-03-09 US disclosed
US-20090270478-A1 ION CHANNEL MODULATING ACTIVITY II CARDIOME PHARMA CORP. (CA) 2009-10-29 US disclosed
US-7507545-B2 Ion channel modulating activity method CARDIOME PHARMA CORP. (CA) 2009-03-24 US disclosed
US-20060199848-A9 Cardiovascular disorders; antiarrhythmai agenst; sodium channel moderators; potassium channel moderators; prevent fibrillation CARDIOME PHARMA CORP. (CA) 2006-09-07 US disclosed
US-20060135536-A9 Ion channel modulating activity I CARDIOME PHARMA CORP. (CA) 2006-06-22 US disclosed
US-20050119315-A1 Ion channel modulating activity II CARDIOME PHARMA CORP. (CA) 2005-06-02 US disclosed
US-20050070552-A1 Ion channel modulating activity I CARDIOME PHARMA CORP. (CA) 2005-03-31 US disclosed
WO-2005018635-A2 ION CHANNEL MODULATING ACTIVITY I CARDIOME PHARMA CORP. (CA) 2005-03-03 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 (7 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-20050119315-A1 Ion channel modulating activity II KCNH1, KCNN3, KCNJ2 ADRB1 265/4885TDP1 2796/4885NPY1R 2695/4885
US-20050070552-A1 Ion channel modulating activity I KCNN1, KCNN3, KCNH1 ADRB1 329/4885TDP1 1456/4885NPY1R 3572/4885
US-20100120890-A1 ION CHANNEL MODULATING ACTIVITY I KCNN1, KCNN3, KCNH1 ADRB1 329/4885TDP1 1456/4885NPY1R 3572/4885
US-20060199848-A9 Cardiovascular disorders; antiarrhythmai agenst; sodium channel moderators; potassium channel moderators; prevent fibrillation KCNN3, KCNN1, KCNN2 ADRB1 241/4885TDP1 1821/4885NPY1R 2446/4885
US-20060135536-A9 Ion channel modulating activity I KCNN1, KCNN3, KCNH1 ADRB1 329/4885TDP1 1456/4885NPY1R 3572/4885
US-20090270478-A1 ION CHANNEL MODULATING ACTIVITY II KCNH1, KCNN3, KCNN2 ADRB1 258/4885TDP1 2827/4885NPY1R 2806/4885
US-20120095073-A1 ION CHANNEL MODULATING ACTIVITY II KCNH1, KCNN3, KCNJ2 ADRB1 265/4885TDP1 2796/4885NPY1R 2695/4885

“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.