SCHEMBL19782482

SCHEMBL19782482

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

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 5/20 0.61
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
ADRB2 P07550 4/20 0.41
ACHE P22303 3/20 0.41
BCHE P06276 2/20 0.41
WNK1 Q9H4A3 1/20 0.41
JMJD6 Q6NYC1 1/20 0.40
GSK3B P49841 1/20 0.40
MAOB P27338 1/20 0.40
CHRM2 P08172 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
SCHEMBL19770203 1.00 CHRM3 (0.61) CHRM3DRD2DRD4ACACBACACA
SCHEMBL19770200 0.91 CHRM3 (0.67) CHRM3DRD2DRD4ADRB2ACHE
SCHEMBL19782567 0.91 CHRM3 (0.67) CHRM3DRD2DRD4ADRB2ACHE
SCHEMBL19782485 0.84 DRD2 (0.44) CHRM3DRD2DRD4ACACBACACA
SCHEMBL17985864 0.81 CHRM3 (0.62) CHRM3DRD2DRD4ADRB2
SCHEMBL17985861 0.81 CHRM3 (0.62) CHRM3DRD2DRD4ADRB2
SCHEMBL19782517 0.79 CHRM3 (0.59) CHRM3ADRB2ACHEBCHEMAOB
SCHEMBL19770191 0.79 CHRM3 (0.68) CHRM3DRD2DRD4ADRB2ACHE
SCHEMBL19770175 0.77 CHRM3 (0.82) CHRM3DRD2DRD4ACHEBCHE
SCHEMBL17985973 0.76 CHRM3 (0.83) CHRM3DRD2DRD4ACHEBCHE

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 2 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

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 13/4885DRD2 373/4885DRD4 1506/4885
US-10196386-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B CHRM3 13/4885DRD2 373/4885DRD4 1506/4885

“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.