SCHEMBL383587

SCHEMBL383587

O=c1ccc2c(C(O)CNCCCCCCNCCc3ccccc3)ccc(O)c2[nH]1

nearest known ligand 0.88

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 17/20 0.88
ADRB1 P08588 13/20 0.88
DRD2 P14416 2/20 0.67
DRD1 P21728 2/20 0.67
DRD4 P21917 2/20 0.67
DRD3 P35462 2/20 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
SCHEMBL247128 1.00 ADRB2 (0.88) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL14221484 0.91 ADRB2 (0.77) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL5127959 0.89 ADRB2 (0.87) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL244696 0.89 ADRB2 (0.80) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL4889160 0.89 ADRB2 (0.80) ADRB2ADRB1DRD2DRD1DRD4
Acetic Acid SCHEMBL5120379 0.86 ADRB2 (0.81) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL4895143 0.85 ADRB2 (0.66) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL17074684 0.84 ADRB2 (0.71) ADRB2ADRB1
SCHEMBL17074685 0.84 ADRB2 (0.71) ADRB2ADRB1
SCHEMBL17074683 0.84 ADRB2 (0.71) ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-26 US disclosed
EP-2152341-B2 ATOMIZER IN THE FORM OF AN INHALER FOR MEDICAL AEROSOL THERAPY BOEHRINGER INGELHEIM PHARMA (DE) 2025-04-02 EP disclosed
US-12168009-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-12-17 US disclosed
US-11951212-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-04-09 US disclosed
CN-112279808-B Cystic fibrosis transmembrane conductance regulator modulators 弗特克斯药品有限公司 2024-03-08 CN disclosed
CN-112250627-B Cystic fibrosis transmembrane conductance regulator modulators 弗特克斯药品有限公司 2024-02-02 CN disclosed
EP-4223294-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES Vertex Pharmaceuticals Incorporated (US) 2023-08-09 EP disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
EP-3925607-B1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES VERTEX PHARMA (US) 2023-06-28 EP disclosed
EP-3436446-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-06-07 EP disclosed
WO-2008049842-A2 EGFR KINASE INHIBITOR COMBINATIONS FOR THE TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-02 WO disclosed
WO-2008034504-A2 INHALER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-03-27 WO disclosed
WO-2007134794-A1 ATOMISER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-29 WO disclosed
WO-2007135024-A1 NEW LONG-ACTING DRUG COMBINATIONS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-29 WO disclosed
WO-2007134964-A1 NOVEL MEDICAMENT COMBINATIONS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-29 WO disclosed
WO-2007118858-A1 INHALER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 WO disclosed
WO-2007062721-A1 DISPENSING DEVICE, STORAGE DEVICE AND METHOD FOR DISPENSING A FORMULATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-07 WO disclosed
WO-2007062745-A2 INHALER AND STORE FOR A DRY MEDICAMENT FORMULATION AND RELATED METHODS AND USE THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-07 WO disclosed
WO-2007057362-A1 NEEDLE FOR PUNCTURING POWDER CAPSULES FOR INHALATION BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-05-24 WO disclosed
WO-2007045670-A1 OPTICAL SEMI-QUANTITATIVE 100 % FILLING CHECK OF PHARMACEUTICAL CAPSULES ON CAPSULE FILLING MACHINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-26 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 (4 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-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 ADRB2 522/4885ADRB1 308/4885DRD2 2964/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 ADRB2 522/4885ADRB1 308/4885DRD2 2964/4885
US-12168009-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 ADRB2 522/4885ADRB1 308/4885DRD2 2964/4885
US-11951212-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases CFTR, SLC26A4, PKD1 ADRB2 1836/4885ADRB1 1307/4885DRD2 4769/4885

“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.