SCHEMBL6074935

SCHEMBL6074935

CCCCOc1ccc(S(=O)(=O)Nc2ccc(N3CC(N(Cc4ccccc4)C[C@H](O)COc4cccc5[nH]c6ccccc6c45)C3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 13/20 0.55
ADRB1 P08588 5/20 0.45
TLR4 O00206 4/20 0.42
ADRB2 P07550 5/20 0.40
DNM1 Q05193 1/20 0.38
KCNA5 P22460 1/20 0.38

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
SCHEMBL6075016 0.90 ADRB3 (0.44) ADRB3ADRB1TLR4ADRB2DNM1
SCHEMBL6074817 0.89 ADRB3 (0.54) ADRB3ADRB1TLR4ADRB2DNM1
SCHEMBL6986206 0.86 ADRB3 (0.67) ADRB3ADRB1TLR4ADRB2DNM1
SCHEMBL6074200 0.85 ADRB3 (0.68) ADRB3ADRB1TLR4ADRB2DNM1
SCHEMBL6074664 0.85 AR (0.47) ADRB3ADRB1ADRB2
SCHEMBL6074222 0.83 ADRB3 (0.47) ADRB3ADRB1TLR4ADRB2DNM1
SCHEMBL6075243 0.83 ADRB3 (0.75) ADRB3ADRB1TLR4ADRB2DNM1
SCHEMBL6074218 0.83 ADRB3 (0.75) ADRB3ADRB1TLR4ADRB2DNM1
SCHEMBL6985948 0.82 ADRB3 (0.69) ADRB3ADRB1TLR4ADRB2
SCHEMBL6074074 0.80 ADRB3 (0.47) ADRB3ADRB1TLR4ADRB2DNM1

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 4 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
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

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 ADRB3 2/4885ADRB1 1/4885TLR4 630/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ADRB3 2/4885ADRB1 1/4885TLR4 630/4885

“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.