SCHEMBL19782485

SCHEMBL19782485

CC(C)(C)OC(=O)c1ccnc(-c2cccc(C(C(=O)OCC3CCN(Cc4ccccc4)CC3)c3ccccc3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
CHRM3 P20309 1/20 0.42
ACHE P22303 5/20 0.42
BCHE P06276 4/20 0.42
WNK1 Q9H4A3 1/20 0.41
JMJD6 Q6NYC1 2/20 0.41
MAOB P27338 1/20 0.41
GSK3B P49841 1/20 0.40
FAAH O00519 2/20 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
SCHEMBL19782569 0.90 DRD2 (0.46) DRD2DRD4CHRM3ACHEBCHE
SCHEMBL19782482 0.84 CHRM3 (0.61) DRD2DRD4ACACBACACACHRM3
SCHEMBL19770203 0.84 CHRM3 (0.61) DRD2DRD4ACACBACACACHRM3
SCHEMBL22839864 0.83 ACHE (0.43) DRD2DRD4CHRM3ACHEBCHE
SCHEMBL18557631 0.81 DRD2 (0.49) DRD2DRD4CHRM3ACHEBCHE
SCHEMBL22839852 0.75 BCHE (0.44) DRD2DRD4CHRM3ACHEBCHE
SCHEMBL24404488 0.75 BCHE (0.53) DRD2DRD4CHRM3ACHEBCHE
SCHEMBL19784590 0.75 ACHE (0.43) DRD2DRD4CHRM3ACHEBCHE
SCHEMBL19770200 0.74 CHRM3 (0.67) DRD2DRD4CHRM3ACHEBCHE
SCHEMBL19782567 0.74 CHRM3 (0.67) DRD2DRD4CHRM3ACHEBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 DRD2 373/4885DRD4 1506/4885ACACB 2363/4885
US-10196386-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B DRD2 373/4885DRD4 1506/4885ACACB 2363/4885

“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.