SCHEMBL18016310

SCHEMBL18016310

CC(C)(C)OC(=O)N(CC1CCN(C(=O)c2ccc(C(=O)O)s2)CC1)C[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(O)c2[nH]c(=O)ccc12

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 19/20 0.33
▸ ADRB1 P08588 5/20 0.33
▸ CHRM3 P20309 6/20 0.32
▸ SLC6A2 P23975 1/20 0.31
▸ ADRA1D P25100 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ ADRA1B P35368 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ SRSF6 Q13247 1/20 0.31
▸ CYP1B1 Q16678 1/20 0.31
▸ TMEM97 Q5BJF2 1/20 0.31

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
SCHEMBL18016304 0.95 ADRB2 (0.34) ADRB2ADRB1CHRM3SLC6A2ADRA1D
SCHEMBL17979215 0.85 ADRB2 (0.34) ADRB2ADRB1CHRM3SLC6A2ADRA1D
SCHEMBL17979218 0.85 ADRB2 (0.34) ADRB2ADRB1CHRM3SLC6A2ADRA1D
SCHEMBL29631279 0.85 ADRB2 (0.35) ADRB2ADRB1SLC6A2ADRA1DHTR2A
SCHEMBL18016296 0.85 ADRB2 (0.35) ADRB2ADRB1SLC6A2ADRA1DHTR2A
SCHEMBL18023553 0.84 ADRB2 (0.37) ADRB2ADRB1CHRM3SLC6A2ADRA1D
SCHEMBL19770140 0.84 ADRB2 (0.38) ADRB2ADRB1
SCHEMBL18016238 0.84 ADRB2 (0.39) ADRB2ADRB1SLC6A2ADRA1DHTR2A
SCHEMBL28439475 0.80 ADRB2 (0.35) ADRB2ADRB1CHRM3
SCHEMBL18016297 0.80 ADRB2 (0.35) ADRB2ADRB1CHRM3

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 ADRB2 1/4885ADRB1 2/4885CHRM3 12/4885
US-10004728-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B ADRB2 1/4885ADRB1 2/4885CHRM3 12/4885
US-20170119753-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B ADRB2 1/4885ADRB1 2/4885CHRM3 12/4885

“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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