SCHEMBL5353356

SCHEMBL5353356

CC(C)(CCn1cnc(-c2ccccc2)c1)NCC(O)c1ccc(OCc2ccccc2)c(C(N)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.41
ADRB1 P08588 6/20 0.41
ADRB3 P13945 6/20 0.41
ADRA1D P25100 5/20 0.41
ADRA1A P35348 5/20 0.41
ADRA1B P35368 5/20 0.41
CYP2D6 P10635 2/20 0.39
ADRA2A P08913 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HTR1A P08908 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL5353360 0.89 ADRB2 (0.39) ADRB2ADRB3LMNA
SCHEMBL5353906 0.89 ADRB2 (0.39) ADRB2ADRB3LMNA
SCHEMBL6705283 0.88 ADRB2 (0.50) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL5349538 0.85 ABCB1 (0.39) ADRB2
SCHEMBL5353704 0.85 ADRB2 (0.51) ADRB2ADRB3
SCHEMBL5347604 0.83 ADRB2 (0.44) ADRB2ADRB3KAT6A
SCHEMBL5354273 0.83 ADRB2 (0.44) ADRB2ADRB3KAT6A
SCHEMBL11596019 0.80 ADRB2 (0.47) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL6705286 0.79 ADRB2 (0.43) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL11748288 0.76 ADRB2 (0.49) ADRB2ADRB1ADRB3ADRA1DADRA1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214698-B2 Beta-agonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-05-08 US disclosed
US-20060173061-A1 New beta-agonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-03 US disclosed
US-20040127733-A1 New beta-agonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-01 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-20060173061-A1 New beta-agonists, processes for preparing them and their use as pharmaceutical compositions ADRB1, ADRB2, ADRA1A ADRB2 2/4885ADRB1 1/4885ADRB3 9/4885
US-20040127733-A1 New beta-agonists, processes for preparing them and their use as pharmaceutical compositions ADRB1, ADRA1A, ADRA1D ADRB2 5/4885ADRB1 1/4885ADRB3 7/4885

“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.