SCHEMBL3108583

SCHEMBL3108583

COc1cc(NC(=O)c2cccc(CNC(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)c(Cl)cc1CNC[C@@H](O)c1ccc(O)c2[nH]c(=O)ccc12

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.84
CHRM3 P20309 20/20 0.84
CHRM2 P08172 1/20 0.84

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
SCHEMBL14988838 0.94 ADRB2 (0.86) ADRB2CHRM3CHRM2
SCHEMBL731899 0.94 ADRB2 (0.86) ADRB2CHRM3CHRM2
SCHEMBL3114125 0.92 ADRB2 (0.85) ADRB2CHRM3CHRM2
Batefenterol SCHEMBL30299015 0.91 ADRB2 (1.00) ADRB2CHRM3CHRM2
Batefenterol SCHEMBL385358 0.91 ADRB2 (1.00) ADRB2CHRM3CHRM2
Batefenterol SCHEMBL384466 0.91 ADRB2 (1.00) ADRB2CHRM3CHRM2
Batefenterol SCHEMBL29372665 0.91 ADRB2 (1.00) ADRB2CHRM3CHRM2
Batefenterol SCHEMBL384465 0.91 ADRB2 (1.00) ADRB2CHRM3CHRM2
SCHEMBL739747 0.91 ADRB2 (1.00) ADRB2CHRM3CHRM2
Batefenterol SCHEMBL29380164 0.90 ADRB2 (0.97) ADRB2CHRM3CHRM2

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 ADRB2 1/4885CHRM3 13/4885CHRM2 10/4885

“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.