SCHEMBL563683

SCHEMBL563683

Cc1cc(C)cc(CC(C)(C)N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.54
TAAR1 Q96RJ0 2/20 0.54
HTR2A P28223 1/20 0.50
SLC6A4 P31645 1/20 0.50
HRH1 P35367 1/20 0.50
HTR2B P41595 1/20 0.50
CHRNA4 P43681 1/20 0.50
SLC6A3 Q01959 1/20 0.50
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.43
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
MAOA P21397 1/20 0.34
CISD1 Q9NZ45 1/20 0.34
GHSR Q92847 1/20 0.34
TACR1 P25103 2/20 0.33
CA2 P00918 1/20 0.33
POLB P06746 1/20 0.33
TYR P14679 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL28071127 0.85 SLC6A2 (0.62) SLC6A2TAAR1HTR2ASLC6A4HRH1
SCHEMBL2258137 0.82 TAAR1 (0.59) SLC6A2TAAR1HTR2ASLC6A4HRH1
SCHEMBL16673269 0.80 ESR1 (0.44) SLC6A2TAAR1HTR2ASLC6A4HRH1
SCHEMBL10891421 0.79 SLC6A2 (0.64) SLC6A2TAAR1HTR2ASLC6A4HRH1
SCHEMBL16673539 0.78 ESR1 (0.42) SLC6A2TAAR1ALDH1A1TSHRPGK1
SCHEMBL562859 0.77 HTR1D (0.39) SLC6A2TAAR1HTR2ASLC6A4HRH1
SCHEMBL8625798 0.77 ALDH1A1 (0.38) SLC6A2TAAR1HTR2ASLC6A4HRH1
Hydrochloric Acid SCHEMBL3638960 0.77 SLC6A2 (0.61) SLC6A2TAAR1HTR2ASLC6A4HRH1
SCHEMBL9747633 0.76 ALDH1A1 (0.39) ALDH1A1TSHRPGK1PGK2MAOA
SCHEMBL8585296 0.75 SLC6A2 (0.46) SLC6A2TAAR1HTR2ASLC6A4HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562603-B3 NOVEL MEDICAMENTS FOR THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASES BOEHRINGER INGELHEIM PHARMA (DE) 2014-01-08 EP disclosed
EP-1765355-B1 BENZOXAZINE FOR TREATING RESPIRATORY TRACT DISEASES BOEHRINGER INGELHEIM INT (DE) 2013-03-06 EP disclosed
US-20120035169-A1 AEROSOL FORMULATION FOR THE INHALATION OF BETA-AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 US disclosed
US-8044046-B2 Medicaments for the treatment of chronic obstructive pulmonary disease BOEHRINGER INGELHEIM PHARMA GMBH & CO KG (DE) 2011-10-25 US disclosed
CN-101817800-A Novel medicaments for the treatment of chronic obstructive pulmonary diseases BOEHRINGER INGELHEIM PHARMA 2010-09-01 CN disclosed
US-7786111-B2 Medicaments for the treatment of chronic obstructive pulmonary disease BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-08-31 US disclosed
CN-101735166-A Novel medicaments for the treatment of chronic obstructive pulmonary diseases BOEHRINGER INGELHEIM PHARMA 2010-06-16 CN disclosed
US-7727984-B2 R-6-Hydroxy-8-{1-hydroxy-2-[2-(4-methoxy-phenyl)-1,1-dimethyl-ethylamino ]-ethyl}-4H-benzo[1,4]oxazin-3-one, or an acid addition salt thereof; betamimetics; for administration once a day for treating COPD BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2010-06-01 US disclosed
US-20090181961-A1 NOVEL MEDICAMENTS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-16 US disclosed
EP-1562603-B1 NOVEL MEDICAMENTS FOR THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASES BOEHRINGER INGELHEIM PHARMA (DE) 2009-05-06 EP disclosed
US-20050272726-A1 Novel medicaments for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-08 US disclosed
WO-2005110421-A2 AEROSOL FORMULATION FOR INHALATION OF BETA AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed
US-20050256115-A1 Aerosol formulation for the inhalation of beta-agonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 US disclosed
WO-2005102350-A1 BENZOXAZINE FOR TREATING RESPIRATORY TRACT DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO disclosed
WO-2005102349-A1 PHARMACEUTICAL COMBINATIONS CONTAINING BENZOXAZINE FOR TREATING RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO disclosed
US-20050239778-A1 Novel medicament combinations for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2005-10-27 US disclosed
US-20050222144-A1 Medicaments for the treatment of chronic obstructive pulmonary disease BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-10-06 US disclosed
EP-1562603-A2 NOVEL MEDICAMENTS FOR THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASES Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-08-17 EP disclosed
US-20040147513-A1 New medicaments for the treatment of chronic obstructive pulmonary disease BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-29 US disclosed
WO-2004045618-A2 NOVEL MEDICAMENTS FOR THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-03 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-20050256115-A1 Aerosol formulation for the inhalation of beta-agonists ADRB1, ADRB2, ADRB3 SLC6A2 1271/4885TAAR1 197/4885HTR2A 1144/4885
US-20090181961-A1 NOVEL MEDICAMENTS FOR THE TREATMENT OF RESPIRATORY DISEASES MRGPRX2, MRGPRX1, CFTR SLC6A2 3026/4885TAAR1 1634/4885HTR2A 2578/4885
US-20050222144-A1 Medicaments for the treatment of chronic obstructive pulmonary disease H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SLC26A4, CHRM1 SLC6A2 1298/4885TAAR1 1628/4885HTR2A 3361/4885
US-20050272726-A1 Novel medicaments for the treatment of respiratory diseases MRGPRX2, MRGPRX1, CFTR SLC6A2 3026/4885TAAR1 1634/4885HTR2A 2578/4885
US-20040147513-A1 New medicaments for the treatment of chronic obstructive pulmonary disease CLIC1, OTC, SLC10A1 SLC6A2 2004/4885TAAR1 1403/4885HTR2A 3674/4885
US-20050239778-A1 Novel medicament combinations for the treatment of respiratory diseases MRGPRX2, MRGPRX1, MTNR1B SLC6A2 713/4885TAAR1 1133/4885HTR2A 1568/4885
US-20120035169-A1 AEROSOL FORMULATION FOR THE INHALATION OF BETA-AGONISTS ADRB1, ADRB2, ADRB3 SLC6A2 1271/4885TAAR1 197/4885HTR2A 1144/4885

“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.