SCHEMBL9354060

SCHEMBL9354060

CC(C)NCC(O)COc1ccc(CCC(=O)O)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 4/20 0.79
▸ ADRB1 P08588 4/20 0.79
▸ TDP1 Q9NUW8 3/20 0.69
▸ PMP22 Q01453 2/20 0.69
▸ NPY1R P25929 1/20 0.69
▸ NPY2R P49146 1/20 0.69
▸ NPSR1 Q6W5P4 1/20 0.69
▸ ADRA1A P35348 2/20 0.68
▸ CYP2D6 P10635 2/20 0.68
▸ NR3C1 P04150 1/20 0.68
▸ CYP2J2 P51589 1/20 0.68
▸ PDE4D Q08499 1/20 0.68
▸ LMNA P02545 2/20 0.67
▸ CNR1 P21554 1/20 0.67
▸ ADRA1D P25100 1/20 0.67
▸ ADRA1B P35368 1/20 0.67
▸ ABCB1 P08183 1/20 0.67
▸ KDM4E B2RXH2 1/20 0.67
▸ CYP1A2 P05177 1/20 0.67
▸ GLA P06280 1/20 0.67

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
Hydrochloric Acid SCHEMBL1269430 0.99 ADRB2 (0.77) ADRB2ADRB1TDP1PMP22NPY1R
SCHEMBL11021642 0.92 ADRB2 (0.72) ADRB2ADRB1TDP1PMP22NPY1R
Hydrochloric Acid SCHEMBL28539285 0.91 ADRB2 (0.70) ADRB2ADRB1TDP1PMP22NPY1R
Metoprolol SCHEMBL2406939 0.89 ADRB1 (0.84) ADRB2ADRB1TDP1PMP22NPY1R
Metoprolol SCHEMBL40917 0.89 ADRB1 (0.84) ADRB2ADRB1TDP1PMP22NPY1R
Metoprolol SCHEMBL23668766 0.89 ADRB1 (0.84) ADRB2ADRB1TDP1PMP22NPY1R
Metoprolol SCHEMBL14744146 0.89 ADRB1 (0.84) ADRB2ADRB1TDP1PMP22NPY1R
Metoprolol SCHEMBL40916 0.89 ADRB1 (0.84) ADRB2ADRB1TDP1PMP22NPY1R
(S)-Metoprolol SCHEMBL379724 0.89 ADRB1 (0.84) ADRB2ADRB1TDP1PMP22NPY1R
SCHEMBL20552238 0.88 ADRB2 (0.77) ADRB2ADRB1TDP1PMP22NPY1R

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116036305-B Nanometer medicine and its prepn and application 广州国家实验室 2023-09-15 — — CN claimed
CN-116036305-A Nanometer medicine and its prepn and application 广州国家实验室 2023-05-02 — — CN claimed
US-9078882-B2 Compositions and methods for preventing cardiac arrhythmia CORMATRIX CARDIOIOVASCULAR, INC. (US) 2015-07-14 — — US claimed
US-20150164960-A1 Compositions and Methods for Preventing Cardiac Arrhythmia ELUTIA MED LLC 2015-06-18 — — US claimed
EP-0403578-B1 STABLE PHARMACEUTICAL COMPOSITION OHMEDA (GB) 1994-10-12 — — EP claimed
EP-0041491-B1 NEW PARA-SUBSTITUTED 3-PHENOXY-1-ALKYLAMINO-PROPANOL-2-S HAVING BETA RECEPTOR BLOCKING PROPERTIES Aktiebolaget Hässle (SE) 1985-01-30 — — EP claimed
CN-115951003-B Method for detecting impurity of esmolol hydrochloride injection 湖南省药品检验检测研究院 2024-12-24 — — CN disclosed
EP-3310439-B1 PHARMACEUTICAL COMPOSITIONS FOR ANESTHESIOLOGICAL APPLICATIONS COMPRISING BENZODIAZEPINE AND KETAMINE MELT PHARMACEUTICALS INC (US) 2024-05-29 — — EP disclosed
CN-116036305-B Nanometer medicine and its prepn and application 广州国家实验室 2023-09-15 — — CN disclosed
CN-116036305-A Nanometer medicine and its prepn and application 广州国家实验室 2023-05-02 — — CN disclosed
US-11622955-B2 Sigma-1 receptor agonist systolic blood pressure therapy ANAVEX LIFE SCIENCES CORP. (US) 2023-04-11 — — US disclosed
US-20230071766-A1 SIGMA-1 RECEPTOR AGONIST SYSTOLIC BLOOD PRESSURE THERAPY ANAVEX LIFE SCIENCES CORP. (US) 2023-03-09 — — US disclosed
US-11193925-B2 Medication adherence monitoring device UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2021-12-07 — — US disclosed
US-20160367566-A1 PHARMACEUTICAL COMPOSITIONS FOR ANESTHESIOLOGICAL APPLICATIONS FIFTH THIRD BANK, NATIONAL ASSOCIATION, AS AGENT 2016-12-22 — — US disclosed
EP-0403578-B1 STABLE PHARMACEUTICAL COMPOSITION OHMEDA (GB) 1994-10-12 — — EP disclosed
EP-0403578-A4 STABLE PHARMACEUTICAL COMPOSITION — 1991-07-03 — — EP disclosed
EP-0403578-A1 STABLE PHARMACEUTICAL COMPOSITION. DU PONT (US) 1990-12-27 — — EP disclosed
WO-1989011855-A1 STABLE PHARMACEUTICAL COMPOSITION E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-12-14 — — WO disclosed
US-4857552-A DEGRADABLE ESMOLOL HYDROCHLORIDE FOR CARDIOVASCULAR DISORDERS; SHORT ACTION, SHELF LIFE E. I. DU PONT DE NEMOURS AND CO. (US) 1989-08-15 — — US disclosed
EP-0041491-A1 New para-substituted 3-phenoxy-1-alkylamino-propanol-2-s having beta receptor blocking properties Aktiebolaget Hässle (SE) 1981-12-09 — — EP 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-20160367566-A1 PHARMACEUTICAL COMPOSITIONS FOR ANESTHESIOLOGICAL APPLICATIONS GRIN2B, GRIN3A, GABRB1 ADRB2 34/4885ADRB1 40/4885TDP1 3787/4885

“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.

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