SCHEMBL6074451

SCHEMBL6074451

CCOC(=O)/C=C/c1ccc(N2CCC(=O)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
CYP3A4 P08684 1/20 0.51
TTR P02766 1/20 0.50
DPP4 P27487 1/20 0.50
PTGS2 P35354 1/20 0.48
MAPT P10636 6/20 0.47
HTT P42858 1/20 0.47
MAOB P27338 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FDPS P14324 1/20 0.44
ESR1 P03372 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
SCHEMBL6074457 1.00 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL846220 0.86 PTGS2 (0.61) CA12CA1CA2CA7CA9
SCHEMBL846221 0.86 PTGS2 (0.61) CA12CA1CA2CA7CA9
SCHEMBL19304327 0.85 MAPT (0.61) CA12CA1CA2CA7CA9
SCHEMBL7749841 0.80 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL7749847 0.80 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL5059085 0.80 CA12 (0.86) CA12CA1CA2CA7CA9
SCHEMBL13957401 0.80 CA12 (0.86) CA12CA1CA2CA7CA9
SCHEMBL10939791 0.80 CA12 (0.86) CA12CA1CA2CA7CA9
SCHEMBL6074274 0.79 CA12 (0.51) CA12CA1CA2CA7CA9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022716-B2 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH (US) 2006-04-04 US disclosed
US-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2003-07-31 US disclosed
EP-1301482-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS Wyeth (US) 2003-04-16 EP disclosed
US-6525202-B2 E.g., substituted (4-amino-5-hydroxyphenyl)-oxy-)piperidinyl thiazolidin-2,4-dione; antidiabetic agents; atherosclerosis, gastrointestinal, metabolic disorders, glaucoma, neurogenetic inflammation, ocular hypertension and frequent urination WYETH 2003-02-25 US disclosed
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2002-03-07 US disclosed
WO-2002006232-A1 CYCLIC AMINE PHENYL 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-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 CA12 4856/4885CA1 4846/4885CA2 3350/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 CA12 4856/4885CA1 4846/4885CA2 3350/4885

“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.