SCHEMBL6074679

SCHEMBL6074679

O=[N+]([O-])c1ccc(Oc2c(Cl)cc(S(=O)(=O)Nc3ccc(N4CCC(NCC(O)c5cccc(O)c5)CC4)cc3)cc2Cl)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.40
THRA P10827 2/20 0.39
ADRB3 P13945 13/20 0.39
ADRB1 P08588 10/20 0.39
ADRB2 P07550 9/20 0.39
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6073977 0.84 TDP1 (0.43) CYP2C9THRAADRB3ADRB1ADRB2
SCHEMBL7637184 0.84 TDP1 (0.43) CYP2C9THRAADRB3ADRB1ADRB2
SCHEMBL6073847 0.81 ADRB3 (0.54) CYP2C9ADRB3ADRB1ADRB2MEN1
SCHEMBL6074802 0.79 ADRB3 (0.47) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL6074990 0.78 ADRB3 (0.54) ADRB3ADRB1ADRB2ALDH1A1MAPT
SCHEMBL6074028 0.78 KMT2A (0.51) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL6074256 0.74 LMNA (0.54) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL6074637 0.73 MAPT (0.52) ADRB3ADRB1ADRB2ALDH1A1MAPT
SCHEMBL6074633 0.73 MAPT (0.52) ADRB3ADRB1ADRB2ALDH1A1MAPT
SCHEMBL7636004 0.73 MAPT (0.52) ADRB3ADRB1ADRB2ALDH1A1MAPT

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 CYP2C9 1408/4885THRA 206/4885ADRB3 2/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 CYP2C9 1408/4885THRA 206/4885ADRB3 2/4885

“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.