SCHEMBL19215604

SCHEMBL19215604

CN(CCCCN)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.75

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
SCHEMBL3541413 0.99 CHRM3 (0.75) CHRM3
SCHEMBL694382 0.97 CHRM3 (0.75) CHRM3
SCHEMBL380736 0.92 CHRM3 (0.75) CHRM3
SCHEMBL694285 0.92 CHRM3 (0.66) CHRM3
SCHEMBL18239943 0.92 CHRM3 (0.68) CHRM3
Hydrochloric Acid SCHEMBL381304 0.92 CHRM3 (0.74) CHRM3
SCHEMBL693841 0.91 CHRM3 (0.67) CHRM3
SCHEMBL693467 0.91 CHRM3 (0.64) CHRM3
SCHEMBL693450 0.90 CHRM3 (0.65) CHRM3
SCHEMBL740042 0.89 CHRM3 (0.75) CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170226082-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2017-08-10 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 (1 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-20170226082-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2A CHRM3 13/4885

“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.