SCHEMBL6074550

SCHEMBL6074550

NC[C@H](O)c1cc(Br)no1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.39
ADRB1 P08588 7/20 0.39
ADRB3 P13945 6/20 0.39
TAAR1 Q96RJ0 3/20 0.37
APEX1 P27695 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
RECQL P46063 2/20 0.37
BLM P54132 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
ADRA1A P35348 2/20 0.37
CYP3A4 P08684 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
DRD2 P14416 1/20 0.37

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
SCHEMBL8879834 0.84 ADRB2 (0.44) ADRB2ADRB1ADRB3LMNA
SCHEMBL8129014 0.83 ADRB2 (0.40) ADRB2ADRB1ADRB3
SCHEMBL6074317 0.83 ADRB2 (0.40) ADRB2ADRB1ADRB3
SCHEMBL10341872 0.77 ADRB2 (0.45) ADRB2ADRB1ADRB3
SCHEMBL31605891 0.76 ALDH1A1 (0.39) ADRB2ADRB1ADRB3TAAR1APEX1
SCHEMBL4538650 0.73 ADRB2 (0.54) ADRB2ADRB1ADRB3TDP1MAPT
Broxaterol SCHEMBL82745 0.72 ADRB2 (0.46) ADRB2ADRB1ADRB3BLMKDM4E
Broxaterol SCHEMBL8845005 0.71 ADRB2 (0.45) ADRB2ADRB1ADRB3TDP1BLM
SCHEMBL8557552 0.69 ADRB2 (0.32) ADRB2ADRB1ADRB3
SCHEMBL6074423 0.69 NOTUM (0.41) TDP1MAPTLMNAMAPK1

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-7022716-B2 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH (US) 2006-04-04 US disclosed
US-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2003-07-31 US disclosed
EP-1301482-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS Wyeth (US) 2003-04-16 EP disclosed
US-6525202-B2 E.g., substituted (4-amino-5-hydroxyphenyl)-oxy-)piperidinyl thiazolidin-2,4-dione; antidiabetic agents; atherosclerosis, gastrointestinal, metabolic disorders, glaucoma, neurogenetic inflammation, ocular hypertension and frequent urination WYETH 2003-02-25 US disclosed
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2002-03-07 US disclosed
WO-2002006232-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO 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-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ADRB2 3/4885ADRB1 1/4885ADRB3 2/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ADRB2 3/4885ADRB1 1/4885ADRB3 2/4885

“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.