SCHEMBL2076407

SCHEMBL2076407

CCC(O)(CC)c1cc(OC)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
CYP3A4 P08684 3/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
MAPT P10636 2/20 0.44
THRB P10828 2/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
MCL1 Q07820 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NOS2 P35228 1/20 0.38
HPGD P15428 1/20 0.38
RAD52 P43351 1/20 0.38
MAPK1 P28482 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL3378902 0.80 ALDH1A1 (0.50) ALDH1A1CYP3A4MEN1KMT2ATDP1
SCHEMBL16372579 0.76 ALDH1A1 (0.53) ALDH1A1CYP3A4MEN1KMT2ATDP1
SCHEMBL25566397 0.75 F10 (0.35) ALDH1A1SMN1; SMN2
SCHEMBL24131432 0.75 PGR (0.45) ALDH1A1CYP3A4KMT2ATDP1MAPT
SCHEMBL4126225 0.75 KDM4E (0.39) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL2079427 0.75 ALDH1A1 (0.42) ALDH1A1CYP3A4SMN1; SMN2FFAR4ADRA1A
SCHEMBL29961263 0.74 FFAR4 (0.56) ALDH1A1CYP3A4MEN1KMT2ATDP1
SCHEMBL77088 0.74 FFAR4 (0.56) ALDH1A1CYP3A4MEN1KMT2ATDP1
SCHEMBL5958670 0.71 ALDH1A1 (0.48) ALDH1A1CYP3A4MEN1KMT2ATDP1
SCHEMBL3576845 0.71 ALDH1A1 (0.55) ALDH1A1CYP3A4MEN1KMT2ATDP1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856070-B1 NOVEL DRUGS FOR TREATING RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2011-07-27 EP disclosed
US-20110053926-A1 New Pharmaceutically-Active Compounds for the Treatment of Respiratory Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-03 US disclosed
US-20100233268-A1 POWDER FORMULATIONS FOR INHALATION CONTAINING ENANTIOMERICALLY PURE BETA-AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-16 US disclosed
US-7709474-B2 Enantiomerically pure beta agonists, manufacturing and use thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-04 US disclosed
EP-2094271-A2 DRUG COMBINATIONS FOR TREATING AIRWAY DISEASES Boehringer Ingelheim International GmbH (DE) 2009-09-02 EP disclosed
EP-2056836-A1 POWDER FORMULATIONS FOR INHALATION CONTAINING ENANTIOMERICALLY PURE BETA-AGONISTS Boehringer Ingelheim International GmbH (DE) 2009-05-13 EP disclosed
EP-2057134-A1 SINGLE ENANTIOMER BETA AGONISTS METHOD FOR PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim International GmbH (DE) 2009-05-13 EP disclosed
US-20090105236-A1 NEW PHARMACEUTICALLY-ACTIVE COMPOUNDS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 US disclosed
US-20080070909-A1 ENANTIOMERICALLY PURE BETA AGONISTS, MANUFACTURING AND USE THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-03-20 US disclosed
WO-2008023001-A1 POWDER FORMULATIONS FOR INHALATION CONTAINING ENANTIOMERICALLY PURE BETA-AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 WO disclosed
WO-2008023003-A1 DRUG COMBINATIONS FOR TREATING AIRWAY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 WO disclosed
WO-2008023004-A1 SINGLE ENANTIOMER BETA AGONISTS METHOD FOR PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 WO disclosed
US-20080051392-A1 PHARMACEUTICAL COMBINATIONS FOR THE TREATMENT OF RESPIRATORY DISEASES KONETZKI INGO 2008-02-28 US disclosed
EP-1856070-A1 NOVEL DRUGS FOR TREATING RESPIRATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2007-11-21 EP disclosed
WO-2006089859-A1 NOVEL DRUGS FOR TREATING RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-08-31 WO disclosed
US-20060189605-A1 NEW PHARMACEUTICALLY-ACTIVE COMPOUNDS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-08-24 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 (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-20090105236-A1 NEW PHARMACEUTICALLY-ACTIVE COMPOUNDS FOR THE TREATMENT OF RESPIRATORY DISEASES CFTR, SDHA, HRH1 ALDH1A1 767/4885CYP3A4 338/4885MEN1 1840/4885
US-20100233268-A1 POWDER FORMULATIONS FOR INHALATION CONTAINING ENANTIOMERICALLY PURE BETA-AGONISTS ADRB2, ADRB3, ADRB1 ALDH1A1 857/4885CYP3A4 509/4885MEN1 2250/4885
US-20060189605-A1 NEW PHARMACEUTICALLY-ACTIVE COMPOUNDS FOR THE TREATMENT OF RESPIRATORY DISEASES CFTR, SDHA, HRH1 ALDH1A1 767/4885CYP3A4 338/4885MEN1 1840/4885
US-20080070909-A1 ENANTIOMERICALLY PURE BETA AGONISTS, MANUFACTURING AND USE THEREOF ADRB1, ADRB2, ADRB3 ALDH1A1 1529/4885CYP3A4 239/4885MEN1 1153/4885
US-20110053926-A1 New Pharmaceutically-Active Compounds for the Treatment of Respiratory Diseases CFTR, SDHA, HRH1 ALDH1A1 767/4885CYP3A4 338/4885MEN1 1840/4885
US-20080051392-A1 PHARMACEUTICAL COMBINATIONS FOR THE TREATMENT OF RESPIRATORY DISEASES CHRM2, CFTR, TPSB2 ALDH1A1 657/4885CYP3A4 363/4885MEN1 1090/4885

“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.