SCHEMBL562859

SCHEMBL562859

Cc1cc(C)c(CC(C)(C)N)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.39
SLC6A2 P23975 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ALDH1A1 P00352 4/20 0.38
TSHR P16473 1/20 0.38
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
HRH1 P35367 1/20 0.35
HTR2B P41595 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HTR1B P28222 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
KDM4E B2RXH2 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAPGEF4 Q8WZA2 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CYP11B1 P15538 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
SCHEMBL563683 0.77 SLC6A2 (0.54) SLC6A2TAAR1ALDH1A1TSHRHTR2A
SCHEMBL6243403 0.76 KDM4E (0.38) HTR1DALDH1A1TSHRHTR1BHRH3
SCHEMBL6245798 0.76 SLC6A2 (0.38) HTR1DSLC6A2TAAR1HTR2ASLC6A4
SCHEMBL1697849 0.71 THRB (0.33) HTR1DHTR1BHRH3KDM4EL3MBTL1
SCHEMBL27928374 0.71 MEN1 (0.42) HTR1DALDH1A1TSHRHTR1BHRH3
SCHEMBL12032123 0.71 HRH3 (0.32) HTR1DHTR1BHRH3KDM4EL3MBTL1
SCHEMBL4864496 0.70 HTR1D (0.42) HTR1DALDH1A1TSHRHTR1BHRH3
SCHEMBL1697845 0.70 KDM4E (0.45) ALDH1A1TSHRKDM4EL3MBTL1LMNA
SCHEMBL113859 0.70 GLA (0.38) HTR1DALDH1A1HTR1BHRH3KDM4E
Methylamine SCHEMBL28203537 0.69 ALDH1A1 (0.69) ALDH1A1TSHRKDM4ERAPGEF4LMNA

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 25 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
US-7786111-B2 Medicaments for the treatment of chronic obstructive pulmonary disease BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-08-31 US 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-20090092558-A1 6-Hydroxy-8-{1-hydroxy-2-[2-(p-alkoxy- or carboxyalkoxyphenyl)-1,1-dimethylethylamino]ethyl}4H-benzo[1,4]oxazin-3-ones, e.g., 6-hydroxy-8-{1-hydroxy-2-[2-(4-phenoxyacetic acid)-1,1-dimethylethylamino]- ethyl}-4H-benzo[1,4]oxazin-3-one; betamimetics BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-09 US disclosed
EP-2025338-A1 New medicaments for the treatment of chronic ostructive pulmonary disease Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-02-18 EP disclosed
US-20060106213-A1 New Medicaments for the Treatment of Chronic Obstructive Pulmonary Disease BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-05-18 US disclosed
US-20050272726-A1 Novel medicaments for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-08 US disclosed
US-20050256115-A1 Aerosol formulation for the inhalation of beta-agonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 US disclosed
US-20050239778-A1 Novel medicament combinations for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2005-10-27 US disclosed
US-20050234134-A1 Betamimetics with a prolonged duration of activity, processes for preparing them, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-10-20 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
US-6951888-B2 Betamimetics with a prolonged duration of activity, processes for preparing them, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-10-04 US 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
US-20040138307-A1 Dihydroxymethylphenyl derivatives, processes for preparing them, and their use as pharmaceuticals BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 US disclosed
US-20040122108-A1 Betamimetics with a prolonged duration of activity, processes for preparing them, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-24 US 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 (12 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-20040138307-A1 Dihydroxymethylphenyl derivatives, processes for preparing them, and their use as pharmaceuticals CYP1A1, CYP24A1, CYP4B1 HTR1D 74/4885SLC6A2 3873/4885TAAR1 2398/4885
US-20050256115-A1 Aerosol formulation for the inhalation of beta-agonists ADRB1, ADRB2, ADRB3 HTR1D 392/4885SLC6A2 1271/4885TAAR1 197/4885
US-20060106213-A1 New Medicaments for the Treatment of Chronic Obstructive Pulmonary Disease SLC26A4, CHRM1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HTR1D 1398/4885SLC6A2 1663/4885TAAR1 1693/4885
US-20090181961-A1 NOVEL MEDICAMENTS FOR THE TREATMENT OF RESPIRATORY DISEASES MRGPRX2, MRGPRX1, CFTR HTR1D 1666/4885SLC6A2 3026/4885TAAR1 1634/4885
US-20050234134-A1 Betamimetics with a prolonged duration of activity, processes for preparing them, and their use as pharmaceutical compositions CHRM1, CHRM2, ADRB1 HTR1D 33/4885SLC6A2 440/4885TAAR1 323/4885
US-20040122108-A1 Betamimetics with a prolonged duration of activity, processes for preparing them, and their use as pharmaceutical compositions ADRA2C, ADRA1D, ADRB1 HTR1D 27/4885SLC6A2 407/4885TAAR1 609/4885
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 HTR1D 1554/4885SLC6A2 1298/4885TAAR1 1628/4885
US-20050272726-A1 Novel medicaments for the treatment of respiratory diseases MRGPRX2, MRGPRX1, CFTR HTR1D 1666/4885SLC6A2 3026/4885TAAR1 1634/4885
US-20040147513-A1 New medicaments for the treatment of chronic obstructive pulmonary disease CLIC1, OTC, SLC10A1 HTR1D 543/4885SLC6A2 2004/4885TAAR1 1403/4885
US-20050239778-A1 Novel medicament combinations for the treatment of respiratory diseases MRGPRX2, MRGPRX1, MTNR1B HTR1D 1840/4885SLC6A2 713/4885TAAR1 1133/4885
US-20120035169-A1 AEROSOL FORMULATION FOR THE INHALATION OF BETA-AGONISTS ADRB1, ADRB2, ADRB3 HTR1D 392/4885SLC6A2 1271/4885TAAR1 197/4885
US-20090092558-A1 6-Hydroxy-8-{1-hydroxy-2-[2-(p-alkoxy- or carboxyalkoxyphenyl)-1,1-dimethylethylamino]ethyl}4H-benzo[1,4]oxazin-3-ones, e.g., 6-hydroxy-8-{1-hydroxy-2-[2-(4-phenoxyacetic acid)-1,1-dimethylethylamino]- ethyl}-4H-benzo[1,4]oxazin-3-one; betamimetics CHRM1, CHRM2, ADRA2C HTR1D 25/4885SLC6A2 188/4885TAAR1 475/4885

“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.