SCHEMBL7094624

SCHEMBL7094624

COc1cccc(CNC(=O)N2CCC(Nc3ccc(CCNC(=O)O)cc3)CC2)c1OC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 9/20 0.48
ADRB1 P08588 8/20 0.48
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
BACE1 P56817 2/20 0.46
NAMPT P43490 2/20 0.45
PKM P14618 2/20 0.44
ADRB2 P07550 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
Formic Acid SCHEMBL7095995 0.87 ADRB3 (0.47) ADRB3ADRB1BCHEACHEBACE1
SCHEMBL7092879 0.82 PKM (0.53) ADRB3ADRB1PKMMEN1KMT2A
SCHEMBL7096323 0.82 ADRB1 (0.64) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL7096559 0.81 ADRB3 (0.76) ADRB3ADRB1ADRB2
SCHEMBL7092875 0.80 ALDH1A1 (0.56) ADRB3ADRB1MAPTMEN1KMT2A
SCHEMBL7092134 0.80 ADRB3 (0.65) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL7096121 0.79 ADRB3 (0.51) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL7091498 0.79 ADRB1 (0.62) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL7095565 0.79 ADRB3 (0.50) ADRB3ADRB1MAPTMEN1KMT2A
SCHEMBL7096976 0.79 ADRB3 (0.63) ADRB3ADRB1ADRB2MEN1KMT2A

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 5 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
WO-2002006229-A2 HETEROCYCLIC 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-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 ADRB3 3/4885ADRB1 2/4885BCHE 2083/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ADRB3 2/4885ADRB1 1/4885BCHE 2162/4885

“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.