SCHEMBL6073977

SCHEMBL6073977

O=[N+]([O-])c1ccc(Oc2c(Cl)cc(S(=O)(=O)Nc3ccc(N4CCC(NC[C@H](O)COc5ccccc5)CC4)cc3)cc2Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
ADRB3 P13945 10/20 0.40
ADRB1 P08588 7/20 0.40
ADRB2 P07550 6/20 0.40
CYP2C9 P11712 1/20 0.40
THRA P10827 2/20 0.38
LMNA P02545 1/20 0.37
PGR P06401 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
AR P10275 1/20 0.37

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
SCHEMBL7637184 1.00 TDP1 (0.43) TDP1ADRB3ADRB1ADRB2CYP2C9
SCHEMBL6073847 0.86 ADRB3 (0.54) TDP1ADRB3ADRB1ADRB2CYP2C9
SCHEMBL6074679 0.84 CYP2C9 (0.40) ADRB3ADRB1ADRB2CYP2C9THRA
SCHEMBL6073971 0.79 ADRB3 (0.51) ADRB3ADRB1ADRB2LMNAMEN1
SCHEMBL6073967 0.78 LMNA (0.57) TDP1ADRB3ADRB1ADRB2LMNA
SCHEMBL6074347 0.76 ADRB3 (0.52) ADRB3ADRB1ADRB2LMNAMEN1
SCHEMBL6074409 0.75 SMN1; SMN2 (0.59) ADRB3ADRB1ADRB2LMNAMEN1
SCHEMBL6800666 0.73 ADRB3 (0.49) ADRB3ADRB1ADRB2LMNAMEN1
SCHEMBL6074687 0.73 ADRB3 (0.52) ADRB3ADRB1ADRB2LMNAMEN1
SCHEMBL6073869 0.73 ADRB3 (0.59) ADRB3ADRB1ADRB2MEN1ALDH1A1

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 11 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
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 TDP1 1110/4885ADRB3 2/4885ADRB1 1/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 TDP1 1110/4885ADRB3 2/4885ADRB1 1/4885

“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.