SCHEMBL6074513

SCHEMBL6074513

CCCCOc1ccc(S(=O)(=O)Nc2ccc(N3CC(NC[C@H](O)COc4ccc(O)cc4)C3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 19/20 0.54
ADRB3 P13945 19/20 0.54
ADRB2 P07550 18/20 0.54
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
BLM P54132 1/20 0.51
KMT2A Q03164 1/20 0.51
GPR65 Q8IYL9 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
GHSR Q92847 1/20 0.50

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
SCHEMBL6074246 0.89 ADRB1 (0.64) ADRB1ADRB3ADRB2MEN1MAPT
SCHEMBL6074182 0.86 ADRB3 (0.52) ADRB1ADRB3ADRB2
SCHEMBL6074347 0.85 ADRB3 (0.52) ADRB1ADRB3ADRB2KDM4EMEN1
SCHEMBL6074200 0.82 ADRB3 (0.68) ADRB1ADRB3ADRB2KDM4EMAPT
SCHEMBL6985800 0.82 ADRB3 (0.79) ADRB1ADRB3ADRB2TSHR
SCHEMBL6985805 0.82 ADRB3 (0.79) ADRB1ADRB3ADRB2TSHR
SCHEMBL6073654 0.81 ADRB1 (0.62) ADRB1ADRB3ADRB2MEN1MAPT
SCHEMBL6074375 0.78 ADRB3 (0.60) ADRB1ADRB3ADRB2KDM4EMEN1
SCHEMBL6073869 0.78 ADRB3 (0.59) ADRB1ADRB3ADRB2MEN1MAPT
SCHEMBL6801052 0.78 ADRB3 (0.59) ADRB1ADRB3ADRB2

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-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2003-07-31 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 ADRB1 1/4885ADRB3 2/4885ADRB2 3/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ADRB1 1/4885ADRB3 2/4885ADRB2 3/4885

“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.