SCHEMBL15768218

SCHEMBL15768218

COc1cc(COc2cccc([C@@H](NC(=O)OC3CN4CCC3CC4)c3ccccc3)c2)ccc1C(=O)OCCCC1OCCO1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.65
ADRB2 P07550 2/20 0.51

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
SCHEMBL15768217 1.00 CHRM3 (0.65) CHRM3ADRB2
SCHEMBL15768214 1.00 CHRM3 (0.65) CHRM3ADRB2
SCHEMBL15768299 0.86 CHRM3 (0.81) CHRM3
SCHEMBL15768303 0.86 CHRM3 (0.81) CHRM3
SCHEMBL15768301 0.86 CHRM3 (0.81) CHRM3
SCHEMBL15768227 0.85 CHRM3 (0.42) CHRM3ADRB2
SCHEMBL15768228 0.85 CHRM3 (0.42) CHRM3ADRB2
SCHEMBL15772518 0.83 CHRM3 (0.75) CHRM3ADRB2
SCHEMBL15772519 0.83 CHRM3 (0.75) CHRM3ADRB2
SCHEMBL15772517 0.83 CHRM3 (0.75) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2928890-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2018-02-28 EP disclosed
US-9453013-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2016-09-27 US disclosed
US-20150139916-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2015-05-21 US disclosed
US-8980913-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2015-03-17 US disclosed
US-20140163066-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2014-06-12 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-20140163066-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B CHRM3 11/4885ADRB2 1/4885
US-20150139916-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B CHRM3 11/4885ADRB2 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.