SCHEMBL4907424

SCHEMBL4907424

CC(C)(CCn1cnc2ccc(N)cc21)NCC(O)c1cccc(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 10/20 0.43
ADRB2 P07550 6/20 0.41
ADRB1 P08588 4/20 0.41
HPGD P15428 1/20 0.41
NR1I2 O75469 4/20 0.40
HTR6 P50406 2/20 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
SCHEMBL1377347 0.94 NR1I2 (0.45) ADRB3ADRB2ADRB1HPGDNR1I2
SCHEMBL4647480 0.91 ADRB3 (0.45) ADRB3ADRB2ADRB1HPGDNR1I2
SCHEMBL4605935 0.91 ADRB3 (0.46) ADRB3ADRB2ADRB1HPGDNR1I2
SCHEMBL4915375 0.90 ADRB3 (0.43) ADRB3ADRB2ADRB1HPGDNR1I2
SCHEMBL4915362 0.90 ADRB3 (0.43) ADRB3ADRB2ADRB1HPGDNR1I2
SCHEMBL14185294 0.90 ADRB3 (0.44) ADRB3ADRB2ADRB1HPGDNR1I2
SCHEMBL14185295 0.89 ADRB3 (0.48) ADRB3ADRB2ADRB1HPGDNR1I2
SCHEMBL4606660 0.88 NR1I2 (0.46) ADRB3HPGDNR1I2HTR6
Trifluoroacetic Acid SCHEMBL4645770 0.87 ADRB3 (0.42) ADRB3ADRB2ADRB1HPGDNR1I2
SCHEMBL4649151 0.87 ALDH1A1 (0.47) ADRB3HPGDNR1I2

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-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-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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 2/4885ADRB2 3/4885ADRB1 1/4885
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 1/4885ADRB2 5/4885ADRB1 2/4885

“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.