SCHEMBL2199546

SCHEMBL2199546

CCOC(=O)c1ccc2c(c1)ncn2CCC(C)(C)NCC(O)c1cccc(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 2/20 0.43
NR1I2 O75469 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 1/20 0.40
DDX3X O00571 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
MAPT P10636 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
PPARG P37231 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL4916377 1.00 ADRB3 (0.43) ADRB3NR1I2SMN1; SMN2LMNAHPGD
SCHEMBL4913365 0.94 ADRB3 (0.43) ADRB3SMN1; SMN2LMNAHPGDALDH1A1
SCHEMBL5468010 0.94 ADRB3 (0.43) ADRB3SMN1; SMN2LMNAHPGDALDH1A1
SCHEMBL1379764 0.91 NR1I2 (0.44) ADRB3NR1I2HPGDALDH1A1PPARG
SCHEMBL4914684 0.91 NR1I2 (0.44) ADRB3NR1I2HPGDALDH1A1PPARG
SCHEMBL4908168 0.90 ADRB3 (0.42) ADRB3NR1I2LMNAHPGDALDH1A1
SCHEMBL4892585 0.90 ADRB3 (0.43) ADRB3NR1I2SMN1; SMN2LMNAHPGD
SCHEMBL4889571 0.90 ADRB3 (0.43) ADRB3NR1I2SMN1; SMN2LMNAHPGD
SCHEMBL4892568 0.90 ADRB3 (0.43) ADRB3NR1I2SMN1; SMN2LMNAHPGD
SCHEMBL4908069 0.89 NR1I2 (0.43) ADRB3NR1I2HPGDALDH1A1OPRM1

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 13 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
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
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
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
EP-1965782-A1 USE OF AMINOALCOHOL DERIVATIVES FOR THE TREATMENT OF OVERACTIVE BLADDER Boehringer Ingelheim International GmbH (DE) 2008-09-10 EP 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
WO-2007071653-A1 USE OF AMINOALCOHOL DERIVATIVES FOR THE TREATMENT OF OVERACTIVE BLADDER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-28 WO 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
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 ADRB3 2/4885NR1I2 307/4885SMN1; SMN2 2590/4885
US-20080234278-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 ADRB3 2/4885NR1I2 486/4885SMN1; SMN2 1888/4885
US-20090221589-A1 Use of aminoalcohol derivatives for the treatment of overactive bladder ADRB2, ADRB1, ADRB3 ADRB3 3/4885NR1I2 369/4885SMN1; SMN2 1718/4885
US-20050245526-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 ADRB3 2/4885NR1I2 486/4885SMN1; SMN2 1888/4885
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 ADRB3 1/4885NR1I2 103/4885SMN1; SMN2 2337/4885

“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.