SCHEMBL1377347

SCHEMBL1377347

CC(C)(CCn1cnc2cc(N)ccc21)NCC(O)c1cccc(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 10/20 0.45
HPGD P15428 1/20 0.44
ADRB3 P13945 5/20 0.43
KMT2A Q03164 1/20 0.41
ADRB2 P07550 3/20 0.41
ADRB1 P08588 2/20 0.41
ALDH1A1 P00352 1/20 0.40
HTR6 P50406 1/20 0.39

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
SCHEMBL4907424 0.94 ADRB3 (0.43) NR1I2HPGDADRB3ADRB2ADRB1
SCHEMBL4649151 0.91 ALDH1A1 (0.47) NR1I2HPGDADRB3KMT2AALDH1A1
SCHEMBL4605935 0.91 ADRB3 (0.46) NR1I2HPGDADRB3KMT2AADRB2
SCHEMBL1379764 0.90 NR1I2 (0.44) NR1I2HPGDADRB3KMT2AALDH1A1
SCHEMBL4914684 0.90 NR1I2 (0.44) NR1I2HPGDADRB3KMT2AALDH1A1
SCHEMBL14185294 0.90 ADRB3 (0.44) NR1I2HPGDADRB3KMT2AADRB2
SCHEMBL4917492 0.89 NR1I2 (0.43) NR1I2HPGDADRB3KMT2AALDH1A1
SCHEMBL4908069 0.89 NR1I2 (0.43) NR1I2HPGDADRB3KMT2AALDH1A1
SCHEMBL14185295 0.89 ADRB3 (0.48) NR1I2HPGDADRB3KMT2AADRB2
SCHEMBL1379766 0.88 ADRB3 (0.48) NR1I2HPGDADRB3KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977334-B2 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity modulator, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-12 US claimed
JP-4662979-B2 2011-03-30 JP claimed
US-20080234278-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions TRIESELMANN THOMAS 2008-09-25 US claimed
US-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-01 US claimed
JP-2007535512-A 2007-12-06 JP claimed
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-17 US claimed
EP-1781620-A1 NOVEL BETA AGONISTS, METHOD FOR PRODUCING THE SAME AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-09 EP claimed
WO-2005108373-A1 NOVEL BETA AGONISTS, METHOD FOR PRODUCING THE SAME AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 WO claimed
US-20050245526-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 US claimed
US-7977334-B2 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity modulator, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-12 US disclosed
US-20090221589-A1 Use of aminoalcohol derivatives for the treatment of overactive bladder TRIESELMANN THOMAS 2009-09-03 US disclosed
US-20080234278-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions TRIESELMANN THOMAS 2008-09-25 US disclosed
US-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-01 US disclosed
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-17 US disclosed
EP-1781620-A1 NOVEL BETA AGONISTS, METHOD FOR PRODUCING THE SAME AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-09 EP disclosed
WO-2005108373-A1 NOVEL BETA AGONISTS, METHOD FOR PRODUCING THE SAME AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 WO disclosed
US-20050245526-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 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 (5 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-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 NR1I2 307/4885HPGD 1119/4885ADRB3 2/4885
US-20080234278-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 NR1I2 486/4885HPGD 1159/4885ADRB3 2/4885
US-20090221589-A1 Use of aminoalcohol derivatives for the treatment of overactive bladder ADRB2, ADRB1, ADRB3 NR1I2 369/4885HPGD 951/4885ADRB3 3/4885
US-20050245526-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 NR1I2 486/4885HPGD 1159/4885ADRB3 2/4885
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance ADRB3, ADRB1, ADRA1B NR1I2 103/4885HPGD 2957/4885ADRB3 1/4885

“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.