SCHEMBL7095565

SCHEMBL7095565

CCNC(=O)N1CCC(Nc2ccc(CCNC(=O)O)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 9/20 0.50
ADRB1 P08588 7/20 0.49
TPSAB1 Q15661 1/20 0.46
TPSD1 Q9BZJ3 1/20 0.46
TPSG1 Q9NRR2 1/20 0.46
MAPT P10636 1/20 0.46
MLNR O43193 2/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
CA14 Q9ULX7 1/20 0.43

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
SCHEMBL7091403 0.92 ADRB3 (0.51) ADRB3ADRB1TPSAB1TPSD1TPSG1
SCHEMBL7092203 0.89 ADRB3 (0.57) ADRB3ADRB1TPSAB1TPSD1TPSG1
SCHEMBL7095375 0.87 KMT2A (0.58) ADRB3ADRB1TPSAB1TPSD1TPSG1
SCHEMBL7092162 0.87 TPSAB1 (0.51) ADRB3ADRB1TPSAB1TPSD1TPSG1
SCHEMBL7092224 0.87 ADRB3 (0.51) ADRB3ADRB1TPSAB1TPSD1TPSG1
SCHEMBL7094504 0.86 ADRB3 (0.60) ADRB3ADRB1TPSAB1TPSD1TPSG1
SCHEMBL7091360 0.85 ADRB3 (0.50) ADRB3ADRB1TPSAB1TPSD1TPSG1
SCHEMBL7096329 0.85 JAK1 (0.48) ADRB3ADRB1TPSAB1TPSD1TPSG1
SCHEMBL7091498 0.84 ADRB1 (0.62) ADRB3ADRB1TPSAB1MLNRKMT2A
SCHEMBL7090703 0.84 ADRB3 (0.51) 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.