SCHEMBL6074633

SCHEMBL6074633

O=S(=O)(Nc1ccc(N2CCC(NC[C@@H](O)c3cccc(O)c3)CC2)cc1)c1cccs1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
ALDH1A1 P00352 2/20 0.51
ADRB3 P13945 16/20 0.47
ADRB1 P08588 10/20 0.47
ADRB2 P07550 9/20 0.47
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
P4HB P07237 1/20 0.42

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
SCHEMBL6074637 1.00 MAPT (0.52) MAPTLMNAHPGDALDH1A1ADRB3
SCHEMBL7636004 1.00 MAPT (0.52) MAPTLMNAHPGDALDH1A1ADRB3
SCHEMBL6074028 0.81 KMT2A (0.51) MAPTLMNAALDH1A1ADRB3ADRB1
SCHEMBL6074990 0.81 ADRB3 (0.54) MAPTLMNAALDH1A1ADRB3ADRB1
SCHEMBL6074802 0.80 ADRB3 (0.47) MAPTALDH1A1ADRB3ADRB1ADRB2
SCHEMBL6074394 0.80 ADRB3 (0.49) ADRB3ADRB1ADRB2
SCHEMBL6074687 0.78 ADRB3 (0.52) MAPTLMNAHPGDALDH1A1ADRB3
SCHEMBL6075128 0.74 ADRB3 (0.57) MAPTLMNAHPGDALDH1A1ADRB3
SCHEMBL6074679 0.73 CYP2C9 (0.40) MAPTLMNAALDH1A1ADRB3ADRB1
SCHEMBL6074655 0.72 KMT2A (0.50) MAPTLMNAALDH1A1ADRB3ADRB1

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 10 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 claimed
EP-1301482-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS Wyeth (US) 2003-04-16 EP claimed
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2002-03-07 US claimed
WO-2002006232-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO claimed
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 MAPT 565/4885LMNA 2593/4885HPGD 2554/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 MAPT 565/4885LMNA 2593/4885HPGD 2554/4885

“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.