SCHEMBL20169217

SCHEMBL20169217

CN(C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)c1ccc(C(=O)NCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c2)cc1

nearest known ligand 0.88

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.88
ADRB2 P07550 18/20 0.88

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
SCHEMBL18713852 0.97 CHRM3 (0.88) CHRM3ADRB2
SCHEMBL741229 0.94 ADRB2 (1.00) CHRM3ADRB2
SCHEMBL18713859 0.93 ADRB2 (0.94) CHRM3ADRB2
SCHEMBL18713851 0.93 CHRM3 (0.87) CHRM3ADRB2
SCHEMBL739997 0.93 ADRB2 (1.00) CHRM3ADRB2
SCHEMBL19292436 0.92 CHRM3 (0.89) CHRM3ADRB2
SCHEMBL13149604 0.92 CHRM3 (1.00) CHRM3ADRB2
SCHEMBL13149562 0.92 CHRM3 (1.00) CHRM3ADRB2
SCHEMBL18713879 0.91 ADRB2 (0.94) CHRM3ADRB2
SCHEMBL18713850 0.91 CHRM3 (0.73) CHRM3ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10358433-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2019-07-23 US disclosed
US-20190047984-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2019-02-14 US disclosed
US-9975875-B2 Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2018-05-22 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-20190047984-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B CHRM3 17/4885ADRB2 1/4885
US-10358433-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A CHRM3 13/4885ADRB2 1/4885

“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.