SCHEMBL7093947

SCHEMBL7093947

CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(Nc3ccc(CC(OC)OC)cc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 10/20 0.56
ADRB1 P08588 4/20 0.56
ADRB2 P07550 3/20 0.56
GHSR Q92847 6/20 0.49
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.46
NAMPT P43490 1/20 0.45
CCR6 P51684 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
SCHEMBL7095318 0.85 ADRB3 (0.54) ADRB3ADRB1ADRB2GHSRKMT2A
Formic Acid SCHEMBL7091575 0.84 GHSR (0.62) ADRB3ADRB1ADRB2GHSR
SCHEMBL7569465 0.81 CCR6 (0.43) ADRB3ADRB1ADRB2KMT2ACYP1A2
SCHEMBL7090768 0.78 ADRB3 (0.79) ADRB3ADRB1ADRB2KMT2ACYP3A4
SCHEMBL7094069 0.78 ADRB3 (0.69) ADRB3ADRB1ADRB2KMT2ACYP3A4
SCHEMBL6987946 0.76 GHSR (0.56) ADRB3ADRB1ADRB2GHSR
SCHEMBL7586728 0.75 ADRB3 (0.80) ADRB3ADRB1ADRB2
SCHEMBL7091335 0.75 ADRB3 (0.80) ADRB3ADRB1ADRB2
SCHEMBL6987303 0.75 ADRB3 (0.83) ADRB3ADRB1ADRB2GHSRKMT2A
SCHEMBL7095485 0.74 LMNA (0.51) KMT2ACCR6

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-6605618-B2 Antidiabetic agents; hypoglycemic agents; anticholesterol agents; side effect reduction WYETH 2003-08-12 US disclosed
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 US disclosed
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 (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-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 ADRB3 3/4885ADRB1 2/4885ADRB2 1/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ADRB3 2/4885ADRB1 1/4885ADRB2 3/4885

“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.