SCHEMBL2197640

SCHEMBL2197640

CC(C)(CCn1cnc(-c2ccc(N)cc2)c1)NC[C@H](O)c1cccc(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.43
ADRB2 P07550 5/20 0.40
ADRB1 P08588 3/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
HTR6 P50406 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL2200317 1.00 ADRB3 (0.43) ADRB3ADRB2ADRB1CA1CA2
SCHEMBL1380662 1.00 ADRB3 (0.43) ADRB3ADRB2ADRB1CA1CA2
SCHEMBL2201260 0.94 ADRB3 (0.44) ADRB3ADRB2ADRB1MAPT
SCHEMBL2199633 0.93 ADRB3 (0.42) ADRB3ADRB2ADRB1
SCHEMBL1380339 0.92 ADRB3 (0.42) ADRB3ADRB2ADRB1
SCHEMBL2198510 0.92 ADRB3 (0.43) ADRB3ADRB2ADRB1
SCHEMBL2198134 0.92 ADRB3 (0.41) ADRB3ADRB2ADRB1
SCHEMBL2201023 0.92 ADRB3 (0.41) ADRB3ADRB2ADRB1
SCHEMBL2198132 0.92 ADRB3 (0.41) ADRB3ADRB2ADRB1
SCHEMBL2199099 0.91 ADRB3 (0.42) ADRB3ADRB2ADRB1

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 5 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 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-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 (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-20080234278-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-20050245526-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 ADRB3 2/4885ADRB2 3/4885ADRB1 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.