SCHEMBL19782239

SCHEMBL19782239

NCc1ccc(-c2ccc(C(O)(C(=O)OCC3CCN(Cc4ccccc4)CC3)c3ccccc3)cc2)cn1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.70
ACHE P22303 4/20 0.46
BCHE P06276 3/20 0.46
MAOB P27338 1/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
CHRM4 P08173 3/20 0.42
FAAH O00519 1/20 0.42
KCNH2 Q12809 1/20 0.41
CHEK2 O96017 1/20 0.41

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
SCHEMBL19770166 1.00 CHRM3 (0.70) CHRM3ACHEBCHEMAOBDRD2
SCHEMBL19782240 0.85 CHRM3 (0.61) CHRM3ACHEBCHEMAOBDRD2
SCHEMBL19770167 0.85 CHRM3 (0.61) CHRM3ACHEBCHEMAOBDRD2
SCHEMBL19784566 0.84 CHRM3 (0.68) CHRM3ACHEBCHEMAOBDRD2
SCHEMBL19770223 0.84 CHRM3 (0.68) CHRM3ACHEBCHEMAOBDRD2
SCHEMBL19782238 0.82 ACHE (0.48) CHRM3ACHEBCHEMAOBDRD2
SCHEMBL19784564 0.82 CHRM3 (0.69) CHRM3ACHEBCHEMAOBDRD2
SCHEMBL19770164 0.82 CHRM3 (0.69) CHRM3ACHEBCHEMAOBDRD2
SCHEMBL19782423 0.81 CHRM3 (0.89) CHRM3ACHEBCHEMAOBDRD2
SCHEMBL19770153 0.81 CHRM3 (0.89) CHRM3ACHEBCHEMAOBDRD2

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 13/4885ACHE 374/4885BCHE 644/4885
US-10196386-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B CHRM3 13/4885ACHE 374/4885BCHE 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.