SCHEMBL4455617

SCHEMBL4455617

Cc1ccc(CCOCCCCCCNCC(O)c2ccc(O)c(CO)c2)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.85
ADRB3 P13945 14/20 0.75
ADRB1 P08588 13/20 0.75
KDM4E B2RXH2 1/20 0.75
HTR1A P08908 1/20 0.75
CHRM5 P08912 1/20 0.75
DRD2 P14416 1/20 0.75
ADRA2B P18089 1/20 0.75
DRD4 P21917 1/20 0.75
SLC6A2 P23975 1/20 0.75
FPR3 P25089 1/20 0.75
ADRA1D P25100 1/20 0.75
HTR1D P28221 1/20 0.75
HTR1B P28222 1/20 0.75
HTR2A P28223 1/20 0.75
HTR2C P28335 1/20 0.75
SLC6A4 P31645 1/20 0.75
GPR183 P32249 1/20 0.75
HTR7 P34969 1/20 0.75
ADRA1A P35348 1/20 0.75

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
SCHEMBL925758 0.92 ADRB2 (1.00) ADRB2ADRB3ADRB1KDM4EHTR1A
SCHEMBL4449305 0.90 ADRB2 (0.72) ADRB2ADRB3ADRB1KDM4EHTR1A
SCHEMBL4448758 0.90 ADRB2 (0.92) ADRB2ADRB3ADRB1KDM4EHTR1A
SCHEMBL28044430 0.88 ADRB2 (0.85) ADRB2ADRB3ADRB1KDM4EHTR1A
SCHEMBL9763066 0.88 ADRB2 (0.74) ADRB2ADRB3ADRB1KDM4EHTR1A
Acetic Acid SCHEMBL927106 0.88 ADRB2 (1.00) ADRB2ADRB3ADRB1
SCHEMBL9763403 0.87 ADRB2 (0.70) ADRB2ADRB3ADRB1KDM4EHTR1A
SCHEMBL9763289 0.86 ADRB2 (0.75) ADRB2ADRB3ADRB1KDM4EHTR1A
SCHEMBL9763332 0.86 ADRB2 (0.75) ADRB2ADRB3ADRB1KDM4EHTR1A
SCHEMBL926298 0.86 ADRB2 (1.00) ADRB2ADRB3ADRB1KDM4EHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 2/4885ADRB3 14/4885ADRB1 13/4885
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 3/4885ADRB3 14/4885ADRB1 10/4885
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 2/4885ADRB3 14/4885ADRB1 13/4885

“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.