SCHEMBL4430362

SCHEMBL4430362

CC(Cc1ccc(O)cc1)NCC(O)c1ccc(O)c(NC=O)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 17/20 0.80
ADRB1 P08588 6/20 0.80
CYP3A4 P08684 5/20 0.80
MAPK1 P28482 5/20 0.80
ADRB3 P13945 4/20 0.80
CYP2D6 P10635 3/20 0.80
TSHR P16473 3/20 0.80
DRD2 P14416 2/20 0.80
CYP1A2 P05177 2/20 0.80
SLC6A4 P31645 2/20 0.80
ADRA1A P35348 2/20 0.80
SLC6A3 Q01959 2/20 0.80
PGR P06401 1/20 0.80
PTGS2 P35354 1/20 0.80
CYP2C19 P33261 1/20 0.80
DRD3 P35462 1/20 0.80
HIF1A Q16665 2/20 0.66
HSD17B10 Q99714 2/20 0.66
NFKB1 P19838 1/20 0.66
RAB9A P51151 1/20 0.66

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
SCHEMBL10036716 0.92 ADRB2 (0.79) ADRB2ADRB1CYP3A4MAPK1ADRB3
SCHEMBL11817913 0.91 ADRB2 (0.77) ADRB2ADRB1CYP3A4MAPK1ADRB3
SCHEMBL11818484 0.90 ADRB2 (0.67) ADRB2ADRB1CYP3A4MAPK1ADRB3
Arformoterol SCHEMBL4536455 0.89 ADRB2 (0.87) ADRB2ADRB1CYP3A4MAPK1ADRB3
Formoterol SCHEMBL15856256 0.89 ADRB2 (1.00) ADRB2ADRB1CYP3A4MAPK1ADRB3
Arformoterol SCHEMBL4247 0.89 ADRB2 (1.00) ADRB2ADRB1CYP3A4MAPK1ADRB3
Arformoterol SCHEMBL117865 0.89 ADRB2 (1.00) ADRB2ADRB1CYP3A4MAPK1ADRB3
Arformoterol SCHEMBL3679114 0.89 ADRB2 (1.00) ADRB2ADRB1CYP3A4MAPK1ADRB3
Arformoterol SCHEMBL6547706 0.89 ADRB2 (1.00) ADRB2ADRB1CYP3A4MAPK1ADRB3
Formoterol SCHEMBL6528975 0.89 ADRB2 (1.00) ADRB2ADRB1CYP3A4MAPK1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56115751-A None JP disclosed
US-20090285900-A1 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A BETA-AGONIST BRONCHODILATOR FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE EPIGENESIS PHARMACEUTICALS, LLC 2009-11-19 US disclosed
EP-1651168-A4 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A BETA-AGONIST BRONCHODILATOR FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE EPIGENESIS PHARMACEUTICALS LLC (US) 2009-04-01 EP disclosed
EP-1651168-A2 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A BETA-AGONIST BRONCHODILATOR FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE Epigenesis Pharmaceuticals LLC (US) 2006-05-03 EP disclosed
US-20050113318-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with a beta-agonist bronchodilator for treatment of asthma or chronic obstructive pulmonary disease EPIGENESIS PHARMACUETICALS, LLC 2005-05-26 US disclosed
WO-2005011603-A2 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A BETA-AGONIST BRONCHODILATOR FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE EPIGENESIS PHARMACEUTICALS LLC (US) 2005-02-10 WO disclosed
US-20050026884-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with a beta-agonist bronchodilator for treatment of asthma or chronic obstructive pulmonary disease EPIGENESIS PHARMACEUTICALS LLC 2005-02-03 US disclosed
JP-S56115751-A PREPARATION OF NOVEL 3-ACYLAMINO-4-HYDROXY-ALPHA- ARALKYLAMINOMETHYL BENZYL ALCOHOL YAMANOUCHI PHARMACEUT CO LTD 1981-09-11 JP disclosed
US-3994974-A BRONCHODILATORS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1976-11-30 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 (3 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-20050113318-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with a beta-agonist bronchodilator for treatment of asthma or chronic obstructive pulmonary disease HSD3B2, ADRB2, HSD11B2 ADRB2 2/4885ADRB1 13/4885CYP3A4 1072/4885
US-20050026884-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with a beta-agonist bronchodilator for treatment of asthma or chronic obstructive pulmonary disease HSD3B2, HSD3B1, ADRB2 ADRB2 3/4885ADRB1 10/4885CYP3A4 1101/4885
US-20090285900-A1 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A BETA-AGONIST BRONCHODILATOR FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE HSD3B2, ADRB2, HSD11B2 ADRB2 2/4885ADRB1 13/4885CYP3A4 1072/4885

“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.