SCHEMBL3104285

SCHEMBL3104285

Cc1ccc(C(=O)NCc2ccc(CC(C)NC[C@@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1N(C)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 1.00
ADRB2 P07550 18/20 1.00

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
SCHEMBL13149610 1.00 CHRM3 (1.00) CHRM3ADRB2
Trifluoroacetic Acid SCHEMBL14988970 0.98 CHRM3 (0.95) CHRM3ADRB2
SCHEMBL741284 0.96 CHRM3 (1.00) CHRM3ADRB2
SCHEMBL3110963 0.96 CHRM3 (1.00) CHRM3ADRB2
SCHEMBL738905 0.95 CHRM3 (0.91) CHRM3ADRB2
SCHEMBL3115222 0.94 CHRM3 (1.00) CHRM3ADRB2
SCHEMBL14989074 0.94 CHRM3 (1.00) CHRM3ADRB2
SCHEMBL738904 0.94 CHRM3 (1.00) CHRM3ADRB2
Trifluoroacetic Acid SCHEMBL14989026 0.94 CHRM3 (0.94) CHRM3ADRB2
SCHEMBL13149605 0.93 CHRM3 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273755-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY THERAVANCE BIOPHARMA R&D IP, LLC 2010-10-28 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-20100273755-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 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.