SCHEMBL7095594

SCHEMBL7095594

NC(=O)OCCc1ccc(NC2CCN(C(=O)NCC(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 11/20 0.46
ADRB1 P08588 9/20 0.43
TPSAB1 Q15661 4/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ADRB2 P07550 1/20 0.40
CACNA1B Q00975 1/20 0.40
ROCK2 O75116 1/20 0.40
CYP3A4 P08684 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 SCHEMBL7091481 0.84 ADRB3 (0.49) ADRB3ADRB1TPSAB1CA12CA1
SCHEMBL7095298 0.84 ADRB3 (0.53) ADRB3ADRB1TPSAB1ADRB2
SCHEMBL7095223 0.82 ADRB3 (0.46) ADRB3ADRB1TPSAB1ADRB2CACNA1B
SCHEMBL7242916 0.80 ADRB3 (0.49) ADRB3ADRB1TPSAB1ADRB2
SCHEMBL7095310 0.80 ADRB1 (0.57) ADRB3ADRB1TPSAB1
SCHEMBL7096343 0.80 ADRB3 (0.59) ADRB3ADRB1TPSAB1ADRB2
SCHEMBL7092942 0.79 ADRB2 (0.55) ADRB3ADRB1ADRB2CYP3A4
SCHEMBL7094171 0.77 ALDH1A1 (0.50) ADRB3ADRB1
SCHEMBL7091296 0.76 ADRB1 (0.60) ADRB3ADRB1TPSAB1ADRB2
SCHEMBL7143495 0.75 ADRB3 (0.77) ADRB3ADRB1ADRB2

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.