SCHEMBL18016243

SCHEMBL18016243

O=C(O)c1cccc(COc2cccc([C@](O)(C(=O)OCC3CCN(Cc4ccccc4)CC3)c3ccccc3)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.69
ADRB2 P07550 6/20 0.53
MRGPRX4 Q96LA9 2/20 0.51
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
NR4A2 P43354 2/20 0.46
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
MAOB P27338 1/20 0.45
HRH1 P35367 1/20 0.45
CCR3 P51677 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL20307272 1.00 CHRM3 (0.69) CHRM3ADRB2MRGPRX4DRD2DRD4
Hydrochloric Acid SCHEMBL17979108 0.99 CHRM3 (0.68) CHRM3ADRB2MRGPRX4DRD2DRD4
Hydrochloric Acid SCHEMBL17979110 0.99 CHRM3 (0.68) CHRM3ADRB2MRGPRX4DRD2DRD4
SCHEMBL17978644 0.93 CHRM3 (0.69) CHRM3ADRB2DRD2DRD4
SCHEMBL18016241 0.93 CHRM3 (0.69) CHRM3ADRB2DRD2DRD4
Hydrochloric Acid SCHEMBL17978860 0.92 CHRM3 (0.68) CHRM3ADRB2DRD2DRD4
Hydrochloric Acid SCHEMBL17978696 0.92 CHRM3 (0.68) CHRM3ADRB2DRD2DRD4
SCHEMBL18017294 0.88 CHRM3 (0.67) CHRM3ADRB2DRD2DRD4
SCHEMBL20307241 0.87 CHRM3 (0.76) CHRM3ADRB2DRD2DRD4BCHE
SCHEMBL18016244 0.87 CHRM3 (0.76) CHRM3ADRB2DRD2DRD4BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10004728-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2018-06-26 US disclosed
US-20170119753-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2017-05-04 US disclosed
US-20170119753-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2017-05-04 US disclosed
US-9579314-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2017-02-28 US disclosed
US-9579314-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2017-02-28 US disclosed
US-20160235734-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2016-08-18 US disclosed
US-20160235734-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2016-08-18 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 (3 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-20160235734-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B CHRM3 12/4885ADRB2 1/4885MRGPRX4 78/4885
US-10004728-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B CHRM3 12/4885ADRB2 1/4885MRGPRX4 78/4885
US-20170119753-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B CHRM3 12/4885ADRB2 1/4885MRGPRX4 78/4885

“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.