SCHEMBL7092225

SCHEMBL7092225

COc1ccc(CCCCNC(=O)N2CCC(Nc3ccc(CCN)cc3)CC2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 5/20 0.49
ADRB1 P08588 2/20 0.48
TPSAB1 Q15661 1/20 0.47
TPSD1 Q9BZJ3 1/20 0.47
TPSG1 Q9NRR2 1/20 0.47
FAAH O00519 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ATM Q13315 1/20 0.44
NPC1 O15118 1/20 0.44
GFER P55789 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.44
EPHX1 P07099 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL7092204 0.91 ADRB3 (0.49) ADRB3ADRB1FAAHALDH1A1MEN1
SCHEMBL7095127 0.83 ADRB3 (0.62) ADRB3ADRB1TPSAB1TPSD1TPSG1
SCHEMBL7091755 0.82 TPSAB1 (0.51) ADRB3ADRB1TPSAB1TPSD1TPSG1
SCHEMBL7091850 0.82 TPSAB1 (0.53) ADRB3ADRB1TPSAB1TPSD1TPSG1
Formic Acid SCHEMBL7095796 0.80 ADRB3 (0.61) ADRB3ADRB1TPSAB1TPSD1TPSG1
Formic Acid SCHEMBL7236466 0.79 ADRB3 (0.49) ADRB3ADRB1TPSAB1TPSD1TPSG1
Formic Acid SCHEMBL7095598 0.78 ALDH1A1 (0.51) ADRB3ADRB1TPSAB1TPSD1TPSG1
SCHEMBL7092162 0.78 TPSAB1 (0.51) ADRB3ADRB1TPSAB1TPSD1TPSG1
SCHEMBL7096580 0.76 PKM (0.53) ADRB3ADRB1FAAHMEN1KMT2A
Formic Acid SCHEMBL7571773 0.75 ADRB3 (0.56) ADRB3ADRB1TPSAB1TPSD1TPSG1

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 2/4885TPSAB1 596/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ADRB3 2/4885ADRB1 1/4885TPSAB1 518/4885

“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.