SCHEMBL2202155

SCHEMBL2202155

CCOC(=O)c1ccc(-c2cn(CCC(C)(C)NCC(O)c3cccc(NS(=O)(=O)c4ccccc4)c3)cn2)cc1.CN(C)c1ccc(-c2cn(CCC(C)(C)NCC(O)c3cccc(NS(=O)(=O)c4ccccc4)c3)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADRB3 P13945 3/20 0.39
NPC1 O15118 2/20 0.38
MEN1 O00255 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
LMNA P02545 3/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35

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
SCHEMBL2199090 0.95 MAPT (0.44) MAPTKMT2AADRB3NPC1MEN1
SCHEMBL2202156 0.95 KMT2A (0.38) MAPTKMT2AL3MBTL1ADRB3NPC1
SCHEMBL2198465 0.93 ADRB3 (0.41) MAPTADRB3OPRM1OPRD1ALDH1A1
SCHEMBL2199827 0.89 ADRB3 (0.40) MAPTADRB3
SCHEMBL2198132 0.88 ADRB3 (0.41) ADRB3
SCHEMBL2198134 0.88 ADRB3 (0.41) ADRB3
SCHEMBL2201023 0.88 ADRB3 (0.41) ADRB3
SCHEMBL2201260 0.86 ADRB3 (0.44) MAPTKMT2AADRB3ALDH1A1
SCHEMBL2196551 0.86 ADRB3 (0.41) KMT2AADRB3
SCHEMBL2196178 0.85 ADRB3 (0.39) ADRB3ALDH1A1GAA

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 2 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

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

For each of this compound's patents that has machine-readable text (1 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 MAPT 590/4885KMT2A 4664/4885L3MBTL1 4117/4885

“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.