SCHEMBL2202156

SCHEMBL2202156

CCOC(=O)c1ccc(-c2cn(CCC(C)(C)NCC(O)c3ccccc3NS(=O)(=O)c3ccccc3)cn2)cc1.CN(C)c1ccc(-c2cn(CCC(C)(C)NCC(O)c3cccc(NS(=O)(=O)c4ccccc4)c3)cn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 3/20 0.37
ADRB3 P13945 4/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TSHR P16473 2/20 0.35
NPC1 O15118 2/20 0.35
MEN1 O00255 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
LMNA P02545 3/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL2202155 0.95 MAPT (0.41) KMT2AL3MBTL1MAPTADRB3OPRM1
SCHEMBL2199090 0.91 MAPT (0.44) KMT2AMAPTADRB3OPRM1OPRD1
SCHEMBL2199093 0.89 ALDH1A1 (0.42) KMT2AL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL2198465 0.88 ADRB3 (0.41) MAPTADRB3OPRM1OPRD1ALDH1A1
SCHEMBL2199827 0.84 ADRB3 (0.40) MAPTADRB3
SCHEMBL2198132 0.83 ADRB3 (0.41) ADRB3
SCHEMBL2201023 0.83 ADRB3 (0.41) ADRB3
SCHEMBL2198134 0.83 ADRB3 (0.41) ADRB3
SCHEMBL2199835 0.83 GLO1 (0.35) KMT2AL3MBTL1MAPTADRB3ALDH1A1
SCHEMBL2198136 0.82 TRPV1 (0.36) KMT2AMAPTADRB3MEN1

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 KMT2A 4664/4885L3MBTL1 4117/4885MAPT 590/4885

“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.