SCHEMBL564877

SCHEMBL564877

CC(C)(N)Cc1ccc(F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.50
AGXT P21549 2/20 0.50
RIPK1 Q13546 2/20 0.43
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SLC6A2 P23975 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MAOB P27338 1/20 0.37
MAPK8 P45983 1/20 0.36
DAO P14920 1/20 0.36
TRPA1 O75762 1/20 0.35
HTR2A P28223 2/20 0.35
HTR2B P41595 2/20 0.35
SLC6A4 P31645 1/20 0.35
HRH1 P35367 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A3 Q01959 1/20 0.35
DPP4 P27487 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL1704764 0.83 IDO1 (0.48) IDO1AGXTRIPK1KDM4ESMN1; SMN2
SCHEMBL564873 0.82 SLC6A2 (0.36) IDO1AGXTRIPK1SMN1; SMN2SLC6A2
SCHEMBL564609 0.81 NPC1 (0.43) SMN1; SMN2ALDH1A1SLC6A2HTR2AHTR2B
SCHEMBL33527402 0.81 NR3C1 (0.36) IDO1AGXTRIPK1SLC6A2TAAR1
SCHEMBL20746123 0.81 IDO1 (0.47) IDO1AGXTRIPK1KDM4ESMN1; SMN2
SCHEMBL3799579 0.81 HTR2A (0.50) IDO1ALDH1A1SLC6A2TAAR1HTR2A
SCHEMBL30090103 0.80 RIPK1 (0.46) IDO1AGXTRIPK1KDM4ESMN1; SMN2
SCHEMBL564882 0.80 RIPK1 (0.46) IDO1AGXTRIPK1KDM4ESMN1; SMN2
SCHEMBL24160334 0.79 SLC6A2 (0.40) RIPK1SMN1; SMN2SLC6A2TAAR1TRPA1
SCHEMBL13548281 0.78 RIPK1 (0.49) IDO1AGXTRIPK1KDM4ESMN1; SMN2

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 26 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-7056916-B2 Medicaments for the treatment of chronic obstructive pulmonary disease BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-06-06 US 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-20050277632-A1 Beta agonists for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-15 US disclosed
US-20050272726-A1 Novel medicaments for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-08 US disclosed
WO-2005110990-A1 HYDROXY-SUBSTITUTED BENZO-CONDENSED HETEROCYCLES FOR USE AS BETA AGONISTS IN THE TREATMENT OF RESPIRATORY DISEASES 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
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
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

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

For each of this compound's patents that has machine-readable text (10 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 IDO1 2974/4885AGXT 3258/4885RIPK1 4864/4885
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 IDO1 3165/4885AGXT 2130/4885RIPK1 4815/4885
US-20050277632-A1 Beta agonists for the treatment of respiratory diseases ADRB1, ADRB2, ADRA1B IDO1 2478/4885AGXT 3165/4885RIPK1 4777/4885
US-20090181961-A1 NOVEL MEDICAMENTS FOR THE TREATMENT OF RESPIRATORY DISEASES MRGPRX2, MRGPRX1, CFTR IDO1 2893/4885AGXT 958/4885RIPK1 4814/4885
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 IDO1 2838/4885AGXT 1887/4885RIPK1 4830/4885
US-20050272726-A1 Novel medicaments for the treatment of respiratory diseases MRGPRX2, MRGPRX1, CFTR IDO1 2893/4885AGXT 958/4885RIPK1 4814/4885
US-20040147513-A1 New medicaments for the treatment of chronic obstructive pulmonary disease CLIC1, OTC, SLC10A1 IDO1 1760/4885AGXT 2295/4885RIPK1 4721/4885
US-20050239778-A1 Novel medicament combinations for the treatment of respiratory diseases MRGPRX2, MRGPRX1, MTNR1B IDO1 2797/4885AGXT 1275/4885RIPK1 4392/4885
US-20120035169-A1 AEROSOL FORMULATION FOR THE INHALATION OF BETA-AGONISTS ADRB1, ADRB2, ADRB3 IDO1 2974/4885AGXT 3258/4885RIPK1 4864/4885
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 IDO1 594/4885AGXT 2440/4885RIPK1 4851/4885

“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.