SCHEMBL2196555

SCHEMBL2196555

CC(C)(CCn1cnc(-c2ccc(C(=O)NO)cc2)c1)NCC(O)c1ccccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.38
ADRB3 P13945 3/20 0.35
PHGDH O43175 3/20 0.33
HDAC3 O15379 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
EGFR P00533 1/20 0.33
FGFR1 P11362 1/20 0.33
KDR P35968 1/20 0.33
HSD17B2 P37059 1/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
ADRB2 P07550 1/20 0.32

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
SCHEMBL2198136 0.93 TRPV1 (0.36) TRPV1ADRB3PHGDHKMT2AMEN1
SCHEMBL2199093 0.90 ALDH1A1 (0.42) KMT2AMEN1
SCHEMBL2199835 0.88 GLO1 (0.35) TRPV1ADRB3KMT2AMEN1ADRB2
SCHEMBL2202258 0.88 MAPT (0.40) TRPV1ADRB3KMT2APOLBMEN1
SCHEMBL2200315 0.88 KEAP1 (0.34) ADRB3KMT2AMEN1CRHBPCRHR2
SCHEMBL2196551 0.87 ADRB3 (0.41) ADRB3PHGDHHDAC8HDAC6EGFR
SCHEMBL2199401 0.83 MMP2 (0.37) TRPV1HSD17B2KMT2AMEN1CRHBP
SCHEMBL2200968 0.81 SLC40A1 (0.38) ADRB3KMT2AMEN1CRHBPCRHR2
SCHEMBL2202156 0.80 KMT2A (0.38) ADRB3KMT2AMEN1
SCHEMBL5354160 0.80 ADRB2 (0.52) ADRB3HSD17B2ADRB2

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-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-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 875/4885ADRB3 2/4885PHGDH 1956/4885
US-20090221589-A1 Use of aminoalcohol derivatives for the treatment of overactive bladder ADRB2, ADRB1, ADRB3 TRPV1 807/4885ADRB3 3/4885PHGDH 1106/4885
US-20050245526-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 TRPV1 875/4885ADRB3 2/4885PHGDH 1956/4885

“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.