SCHEMBL18016237

SCHEMBL18016237

CC(C)(C)OC(=O)N(CCc1ccc(O)cc1)C[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 15/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ DRD1 P21728 2/20 0.36
▸ DRD4 P21917 2/20 0.36
▸ DRD3 P35462 2/20 0.36
▸ ADRB1 P08588 9/20 0.36
▸ RAF1 P04049 1/20 0.35
▸ MAP2K1 Q02750 1/20 0.35
▸ ADRB3 P13945 2/20 0.35
▸ BCHE P06276 1/20 0.33

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
SCHEMBL29631399 1.00 ADRB2 (0.36) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL1204450 0.94 ADRB3 (0.41) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL17985981 0.94 PTGER1 (0.37) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL17979050 0.94 PTGER1 (0.37) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL22829275 0.93 ADRB2 (0.33) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL17978970 0.93 ADRB2 (0.38) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL19770227 0.92 ADRB3 (0.34) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL1204770 0.92 MEN1 (0.35) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL17986017 0.91 ADRB2 (0.34) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL17986018 0.91 ADRB2 (0.34) ADRB2DRD2DRD1DRD4DRD3

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 8 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-20180016267-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2018-01-18 — — 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 (4 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 ADRB2 1/4885DRD2 373/4885DRD1 985/4885
US-20160235734-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B ADRB2 1/4885DRD2 388/4885DRD1 989/4885
US-10004728-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B ADRB2 1/4885DRD2 388/4885DRD1 989/4885
US-20170119753-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B ADRB2 1/4885DRD2 388/4885DRD1 989/4885

“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.

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