SCHEMBL594467

SCHEMBL594467

CCC(Cc1ccc(OC)cc1)NCC(O)c1ccc(O)c(N)c1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 16/20 0.70
ADRB1 P08588 4/20 0.53
DRD2 P14416 2/20 0.53
ADRB3 P13945 2/20 0.53
PGR P06401 1/20 0.53
SLC6A4 P31645 1/20 0.53
ADRA1A P35348 1/20 0.53
PTGS2 P35354 1/20 0.53
SLC6A3 Q01959 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C19 P33261 1/20 0.53
DRD3 P35462 1/20 0.53
SLC22A3 O75751 1/20 0.47

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
SCHEMBL594466 1.00 ADRB2 (0.70) ADRB2ADRB1DRD2ADRB3PGR
SCHEMBL15271352 0.86 ADRB2 (0.69) ADRB2ADRB1DRD2ADRB3PGR
SCHEMBL27657195 0.86 ADRB2 (0.69) ADRB2ADRB1DRD2ADRB3PGR
SCHEMBL593753 0.86 ADRB2 (0.69) ADRB2ADRB1DRD2ADRB3PGR
SCHEMBL29866225 0.86 ADRB2 (0.69) ADRB2ADRB1DRD2ADRB3PGR
SCHEMBL721150 0.86 ADRB2 (0.69) ADRB2ADRB1DRD2ADRB3PGR
SCHEMBL593754 0.86 ADRB2 (0.69) ADRB2ADRB1DRD2ADRB3PGR
SCHEMBL11818451 0.82 ADRB2 (0.78) ADRB2ADRB1DRD2ADRB3PGR
SCHEMBL4684534 0.80 ADRA1A (0.71) ADRB2ADRB1DRD2ADRB3PGR
SCHEMBL11810215 0.75 ADRB2 (0.73) ADRB2ADRB1DRD2ADRB3PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9730890-B2 Bronchodilating beta-agonist compositions and methods MYLAN PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-20140113965-A1 BRONCHODILATING BETA-AGONIST COMPOSITIONS AND METHODS DEY PHARMA, L.P. (US) 2014-04-24 US disclosed
US-8623922-B2 Bronchodilating Beta-agonist compositions and methods DEY PHARMA, L.P. (US) 2014-01-07 US disclosed
US-20120309837-A1 Bronchodilating Beta-Agonist Compositions and Methods BANERJEE PARTHA S (US) 2012-12-06 US disclosed
US-8114912-B2 Bronchodilating β-agonist compositions and methods MYLAN PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
US-20100240761-A1 BRONCHODILATING BETA-AGONIST COMPOSITIONS AND METHODS DEY, L.P. (US) 2010-09-23 US disclosed
US-20090143475-A1 BRONCHODILATING BETA-AGONIST COMPOSITIONS AND METHODS DEY, L.P. (US) 2009-06-04 US disclosed
US-7541385-B2 Bronchodilating β-agonist compositions and methods MYLAN TECHNOLOGIES, INC. 2009-06-02 US disclosed
US-7473710-B2 Bronchodilating beta-agonist compositions and methods JPMORGAN CHASE BANK, N.A. (US) 2009-01-06 US disclosed
US-7465756-B2 Bronchodilating beta-agonist compositions and methods JPMORGAN CHASE BANK, N.A. (US) 2008-12-16 US disclosed
US-20070166235-A1 BRONCHODILATING BETA-AGONIST COMPOSITIONS AND METHODS DEY, L.P. (US) 2007-07-19 US disclosed
US-20070166236-A1 BRONCHODILATING BETA-AGONIST COMPOSITIONS AND METHODS DEY, L.P. (US) 2007-07-19 US disclosed
US-20070166240-A1 BRONCHODILATING BETA-AGONIST COMPOSITIONS AND METHODS DEY, L.P. (US) 2007-07-19 US disclosed
US-20070160541-A1 BRONCHODILATING BETA-AGONIST COMPOSITIONS AND METHODS DEY, L.P. (US) 2007-07-12 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 (8 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-20070166236-A1 BRONCHODILATING BETA-AGONIST COMPOSITIONS AND METHODS ADRB2, ADRB3, ADRB1 ADRB2 1/4885ADRB1 3/4885DRD2 459/4885
US-20100240761-A1 BRONCHODILATING BETA-AGONIST COMPOSITIONS AND METHODS ADRB2, ADRB3, ADRB1 ADRB2 1/4885ADRB1 3/4885DRD2 459/4885
US-20140113965-A1 BRONCHODILATING BETA-AGONIST COMPOSITIONS AND METHODS ADRB2, ADRB3, ADRB1 ADRB2 1/4885ADRB1 3/4885DRD2 459/4885
US-20120309837-A1 Bronchodilating Beta-Agonist Compositions and Methods ADRB2, ADRB3, ADRB1 ADRB2 1/4885ADRB1 3/4885DRD2 459/4885
US-20070160541-A1 BRONCHODILATING BETA-AGONIST COMPOSITIONS AND METHODS ADRB2, ADRB3, ADRB1 ADRB2 1/4885ADRB1 3/4885DRD2 459/4885
US-20070166235-A1 BRONCHODILATING BETA-AGONIST COMPOSITIONS AND METHODS ADRB2, ADRB3, ADRB1 ADRB2 1/4885ADRB1 3/4885DRD2 459/4885
US-20090143475-A1 BRONCHODILATING BETA-AGONIST COMPOSITIONS AND METHODS ADRB2, ADRB3, ADRB1 ADRB2 1/4885ADRB1 3/4885DRD2 459/4885
US-20070166240-A1 BRONCHODILATING BETA-AGONIST COMPOSITIONS AND METHODS ADRB2, ADRB3, ADRB1 ADRB2 1/4885ADRB1 3/4885DRD2 459/4885

“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.