SCHEMBL7574665

SCHEMBL7574665

O=COC(=O)NCCc1ccc(NC2CCN(C(=O)NCc3ccccc3F)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 13/20 0.63
ADRB1 P08588 12/20 0.63
ADRB2 P07550 1/20 0.47
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
GFER P55789 1/20 0.40

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 SCHEMBL7094649 0.88 ADRB3 (0.63) ADRB3ADRB1ADRB2KDM4EALDH1A1
SCHEMBL7096323 0.87 ADRB1 (0.64) ADRB3ADRB1ADRB2KDM4EALDH1A1
Formic Acid SCHEMBL7096361 0.85 ADRB3 (0.62) ADRB3ADRB1ADRB2ALDH1A1TPSAB1
SCHEMBL7091159 0.85 ADRB1 (0.63) ADRB3ADRB1ADRB2ALDH1A1TPSAB1
SCHEMBL7235795 0.78 ADRB3 (0.61) ADRB3ADRB1ADRB2TPSAB1TPSD1
SCHEMBL7091452 0.78 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL7096976 0.77 ADRB3 (0.63) ADRB3ADRB1ADRB2ALDH1A1TPSAB1
SCHEMBL7092134 0.76 ADRB3 (0.65) ADRB3ADRB1ADRB2ALDH1A1TPSAB1
SCHEMBL7096321 0.76 ADRB3 (0.65) ADRB3ADRB1ADRB2ALDH1A1TPSAB1
Formic Acid SCHEMBL7091593 0.76 ADRB3 (0.58) ADRB3ADRB1ADRB2ALDH1A1TPSAB1

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 3 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
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 (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 2/4885ADRB1 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.