SCHEMBL3959643

SCHEMBL3959643

Cc1cc(CCCCOCCCCCCNCC(O)c2ccc(O)c(CO)c2)cc(NC(N)=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 1.00
ADRB1 P08588 19/20 1.00
ADRB3 P13945 19/20 1.00
KDM4E B2RXH2 1/20 0.65
HTR1A P08908 1/20 0.65
CHRM5 P08912 1/20 0.65
DRD2 P14416 1/20 0.65
ADRA2B P18089 1/20 0.65
DRD4 P21917 1/20 0.65
SLC6A2 P23975 1/20 0.65
FPR3 P25089 1/20 0.65
ADRA1D P25100 1/20 0.65
HTR1D P28221 1/20 0.65
HTR1B P28222 1/20 0.65
HTR2A P28223 1/20 0.65
HTR2C P28335 1/20 0.65
SLC6A4 P31645 1/20 0.65
GPR183 P32249 1/20 0.65
HTR7 P34969 1/20 0.65
ADRA1A P35348 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
SCHEMBL29623645 1.00 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EHTR1A
SCHEMBL524208 1.00 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EHTR1A
SCHEMBL29798833 1.00 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EHTR1A
SCHEMBL524209 1.00 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EHTR1A
Acetic Acid SCHEMBL5450669 0.98 ADRB2 (1.00) ADRB2ADRB1ADRB3
SCHEMBL5450250 0.88 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EHTR1A
SCHEMBL5447165 0.88 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EHTR1A
SCHEMBL5447178 0.88 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EHTR1A
SCHEMBL5471417 0.88 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EHTR1A
SCHEMBL5450243 0.88 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EHTR1A

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 63 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
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
US-11426407-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-08-30 US disclosed
CN-110840847-B Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases 沃泰克斯药物股份有限公司 2022-07-29 CN disclosed
WO-2013064450-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-10 WO disclosed
WO-2012080457-A1 BICYCLIC RING SYSTEM SUBSTITUTED SULFONAMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 WO disclosed
WO-2012080456-A1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 WO disclosed
US-20110046148-A1 Spirocyclic Heterocycles Medicaments Containing Said Compounds, Use Thereof And Method For Their Production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-24 US disclosed
EP-2079731-A1 NOVEL SUBSTITUTED PIPERIDYL-PROPANE-THIOLS Boehringer Ingelheim International GmbH (DE) 2009-07-22 EP disclosed
EP-2079725-A1 PIPERIDYL-PROPANE-THIOL CCR3 MODULATORS Boehringer Ingelheim International GmbH (DE) 2009-07-22 EP disclosed
WO-2008049875-A1 NOVEL SUBSTITUTED PIPERIDYL-PROPANE-THIOLS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-02 WO disclosed
WO-2008049874-A1 PIPERIDYL-PROPANE-THIOL CCR3 MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-02 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20110046148-A1 Spirocyclic Heterocycles Medicaments Containing Said Compounds, Use Thereof And Method For Their Production PKD1, BPHL, CYP11B2 ADRB2 160/4885ADRB1 132/4885ADRB3 149/4885
US-11426407-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 ADRB2 522/4885ADRB1 308/4885ADRB3 421/4885
US-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 ADRB2 522/4885ADRB1 308/4885ADRB3 421/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 ADRB2 522/4885ADRB1 308/4885ADRB3 421/4885
US-12168009-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 ADRB2 522/4885ADRB1 308/4885ADRB3 421/4885
US-11951212-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases CFTR, SLC26A4, PKD1 ADRB2 1836/4885ADRB1 1307/4885ADRB3 1299/4885

“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.