SCHEMBL18016233

SCHEMBL18016233

COc1cc(N)c(F)cc1CN(C[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(O)c2[nH]c(=O)ccc12)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.39
ADRB1 P08588 10/20 0.38
ADRB3 P13945 1/20 0.34
CHRM3 P20309 1/20 0.34
DRD3 P35462 3/20 0.34
DRD2 P14416 2/20 0.34
DRD1 P21728 2/20 0.34
DRD4 P21917 2/20 0.34
SLC6A2 P23975 1/20 0.34
ADRA1D P25100 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SRSF6 Q13247 1/20 0.34
CYP1B1 Q16678 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34

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
SCHEMBL29631317 1.00 ADRB2 (0.39) ADRB2ADRB1ADRB3CHRM3DRD3
SCHEMBL17986133 0.92 ADRB2 (0.39) ADRB2ADRB1ADRB3CHRM3DRD3
SCHEMBL17978824 0.92 ADRB2 (0.39) ADRB2ADRB1ADRB3CHRM3DRD3
SCHEMBL17986200 0.91 ADRB2 (0.39) ADRB2ADRB1CHRM3DRD3DRD2
SCHEMBL17986202 0.91 ADRB2 (0.39) ADRB2ADRB1CHRM3DRD3DRD2
SCHEMBL29631376 0.89 ADRB2 (0.41) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL18016232 0.89 ADRB2 (0.41) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL18016258 0.88 ADRB2 (0.39) ADRB2ADRB1ADRB3CHRM3DRD3
SCHEMBL17985823 0.86 ADRB2 (0.40) ADRB2ADRB1CHRM3DRD3DRD2
SCHEMBL17985824 0.86 ADRB2 (0.40) ADRB2ADRB1CHRM3DRD3DRD2

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 9 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-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
WO-2016128456-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2016-08-18 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 (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 2/4885ADRB3 7/4885
US-10004728-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B ADRB2 1/4885ADRB1 2/4885ADRB3 7/4885
US-20170119753-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B ADRB2 1/4885ADRB1 2/4885ADRB3 7/4885

“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.