SCHEMBL2198136

SCHEMBL2198136

CC(C)(CCn1cnc(-c2ccc(C(=O)O)cc2)c1)NCC(O)c1ccccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.36
SLC16A3 O15427 1/20 0.35
KDM4A O75164 1/20 0.34
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
MEN1 O00255 1/20 0.34
CRHBP P24387 1/20 0.34
KMT2A Q03164 1/20 0.34
CRHR2 Q13324 1/20 0.34
ADRB2 P07550 2/20 0.33
ACLY P53396 2/20 0.33
MCL1 Q07820 1/20 0.33
CASR P41180 2/20 0.33
MAPT P10636 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
ADRB3 P13945 2/20 0.33
PHGDH O43175 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
SCHEMBL2196555 0.93 TRPV1 (0.38) TRPV1MEN1CRHBPKMT2ACRHR2
SCHEMBL2199093 0.92 ALDH1A1 (0.42) MEN1KMT2AMCL1MAPT
SCHEMBL2199835 0.90 GLO1 (0.35) TRPV1MEN1KMT2AADRB2MAPT
SCHEMBL2202258 0.90 MAPT (0.40) TRPV1MEN1CRHBPKMT2ACRHR2
SCHEMBL2199401 0.87 MMP2 (0.37) TRPV1MEN1CRHBPKMT2ACRHR2
SCHEMBL2201023 0.86 ADRB3 (0.41) ADRB2KEAP1NFE2L2ADRB3PHGDH
SCHEMBL2198134 0.86 ADRB3 (0.41) ADRB2KEAP1NFE2L2ADRB3PHGDH
SCHEMBL2198132 0.86 ADRB3 (0.41) ADRB2KEAP1NFE2L2ADRB3PHGDH
SCHEMBL2200315 0.84 KEAP1 (0.34) MEN1CRHBPKMT2ACRHR2ADRB2
SCHEMBL2200968 0.83 SLC40A1 (0.38) MEN1CRHBPKMT2ACRHR2ADRB2

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 7 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-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
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 (3 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 TRPV1 875/4885SLC16A3 1784/4885KDM4A 3702/4885
US-20090221589-A1 Use of aminoalcohol derivatives for the treatment of overactive bladder ADRB2, ADRB1, ADRB3 TRPV1 807/4885SLC16A3 486/4885KDM4A 3017/4885
US-20050245526-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 TRPV1 875/4885SLC16A3 1784/4885KDM4A 3702/4885

“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.