SCHEMBL7570652

SCHEMBL7570652

CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)N(c2ccc(CCNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)cc2)C2CCNCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 19/20 0.58
ADRB2 P07550 14/20 0.58
ADRB1 P08588 14/20 0.58
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
GPR65 Q8IYL9 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL7586728 0.81 ADRB3 (0.80) ADRB3ADRB2ADRB1
SCHEMBL7091335 0.81 ADRB3 (0.80) ADRB3ADRB2ADRB1
SCHEMBL7133556 0.79 ADRB3 (0.66) ADRB3ADRB2ADRB1
SCHEMBL7133547 0.76 ADRB3 (0.84) ADRB3ADRB2ADRB1
SCHEMBL7133542 0.76 ADRB3 (0.84) ADRB3ADRB2ADRB1
SCHEMBL7096868 0.75 ADRB3 (0.76) ADRB3ADRB2ADRB1
SCHEMBL7096871 0.75 ADRB3 (0.76) ADRB3ADRB2ADRB1
SCHEMBL6986156 0.74 ADRB3 (1.00) ADRB3ADRB2ADRB1
SCHEMBL6074167 0.71 ADRB3 (0.79) ADRB3ADRB2ADRB1
SCHEMBL6074188 0.71 ADRB3 (0.79) ADRB3ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6451814-B1 SUBSTITUTED 4-((4-AMINO-5-HYDROXYPHENYL)-OXY-)PIPERIDINE ANALOGS; METABOLIC DISORDERS; ANTIDIABETIC AGENTS; ATHERO-SCLEROSIS, GASTROINTESTINAL DISORDERS, GLAUCOMA, NEUROGENETIC INFLAMMATION, OCULAR HYPERTENSION AND FREQUENT URINATION WYETH 2002-09-17 US disclosed
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 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 (1 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-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ADRB3 2/4885ADRB2 3/4885ADRB1 1/4885

“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.