SCHEMBL19782549

SCHEMBL19782549

CC(C)(C)OC(=O)NCC(=O)N1CC=C(c2cccc([C@](O)(C(=O)OCC3CCN(Cc4ccccc4)CC3)c3ccccc3)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.55
ADRB2 P07550 6/20 0.41
TDP1 Q9NUW8 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
BCHE P06276 4/20 0.40
ACHE P22303 4/20 0.40
MAOB P27338 1/20 0.40
NPFFR1 Q9GZQ6 1/20 0.38
NPFFR2 Q9Y5X5 1/20 0.38

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
SCHEMBL19770210 0.88 CHRM3 (0.62) CHRM3ADRB2BCHEACHEMAOB
SCHEMBL19784609 0.85 SIGMAR1 (0.43) CHRM3TDP1SIGMAR1BCHEACHE
SCHEMBL19770168 0.83 CHRM3 (0.65) CHRM3BCHEACHEMAOB
SCHEMBL22839945 0.83 CHRM3 (0.65) CHRM3BCHEACHEMAOB
SCHEMBL22829250 0.83 TDP1 (0.52) TDP1SIGMAR1
SCHEMBL22829251 0.83 TDP1 (0.52) TDP1SIGMAR1
SCHEMBL17978737 0.82 CHRM3 (0.67) CHRM3ADRB2BCHEACHEMAOB
SCHEMBL19770174 0.81 CHRM3 (0.59) CHRM3ADRB2BCHEACHEMAOB
SCHEMBL19782633 0.81 CHRM3 (0.59) CHRM3ADRB2BCHEACHEMAOB
SCHEMBL19782517 0.80 CHRM3 (0.59) 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 1/4885TDP1 4263/4885
US-10196386-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B CHRM3 13/4885ADRB2 1/4885TDP1 4263/4885

“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.