SCHEMBL19782517

SCHEMBL19782517

CC(C)(C)OC(=O)NCc1ncc(-c2cccc(C(O)(C(=O)OCC3CCN(Cc4ccccc4)CC3)c3ccccc3)c2)cn1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 9/20 0.59
ADRB2 P07550 8/20 0.43
BCHE P06276 4/20 0.43
ACHE P22303 4/20 0.43
MAOB P27338 1/20 0.43
CHRM2 P08172 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40

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
SCHEMBL19770191 0.87 CHRM3 (0.68) CHRM3ADRB2BCHEACHEMAOB
SCHEMBL19782537 0.86 CHRM3 (0.58) CHRM3ADRB2BCHEACHEMAOB
SCHEMBL22839849 0.86 CHRM3 (0.58) CHRM3ADRB2BCHEACHEMAOB
SCHEMBL19782633 0.85 CHRM3 (0.59) CHRM3ADRB2BCHEACHEMAOB
SCHEMBL19770174 0.85 CHRM3 (0.59) CHRM3ADRB2BCHEACHEMAOB
SCHEMBL19782240 0.85 CHRM3 (0.61) CHRM3ADRB2BCHEACHEMAOB
SCHEMBL19770167 0.85 CHRM3 (0.61) CHRM3ADRB2BCHEACHEMAOB
SCHEMBL17978737 0.83 CHRM3 (0.67) CHRM3ADRB2BCHEACHEMAOB
SCHEMBL19782419 0.81 CHRM3 (0.61) CHRM3ADRB2BCHEACHEMAOB
SCHEMBL19770159 0.81 CHRM3 (0.61) CHRM3ADRB2BCHEACHEMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3484879-B1 HYDROXYQUINOLINONE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2020-12-30 EP disclosed
US-10196386-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2019-02-05 US disclosed
US-20180016267-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2018-01-18 US disclosed
WO-2018011090-A1 HYDROXYQUINOLINONE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2018-01-18 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-20180016267-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B CHRM3 13/4885ADRB2 1/4885BCHE 644/4885
US-10196386-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B CHRM3 13/4885ADRB2 1/4885BCHE 644/4885

“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.