SCHEMBL14695772

SCHEMBL14695772

O=C(NC(c1ccccc1)c1cccc(OCc2ccc(C(=O)OCc3ccc(CNCC(O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)cc2)c1)OC1CN2CCC1CC2

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 20/20 0.85
▸ ADRB2 P07550 19/20 0.85
▸ CACNA1C Q13936 1/20 0.68

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
SCHEMBL14166220 1.00 CHRM3 (0.85) CHRM3ADRB2CACNA1C
SCHEMBL14695770 1.00 CHRM3 (0.85) CHRM3ADRB2CACNA1C
SCHEMBL15772264 0.97 CHRM3 (0.82) CHRM3ADRB2CACNA1C
SCHEMBL15772261 0.97 CHRM3 (0.82) CHRM3ADRB2CACNA1C
SCHEMBL15772266 0.97 CHRM3 (0.82) CHRM3ADRB2CACNA1C
SCHEMBL20357905 0.96 CHRM3 (0.89) CHRM3ADRB2CACNA1C
SCHEMBL15772988 0.96 CHRM3 (0.89) CHRM3ADRB2CACNA1C
SCHEMBL15772991 0.96 CHRM3 (0.89) CHRM3ADRB2CACNA1C
SCHEMBL16213799 0.96 CHRM3 (0.89) CHRM3ADRB2CACNA1C
SCHEMBL15772986 0.96 CHRM3 (0.89) CHRM3ADRB2CACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718280-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMA SPA (IT) 2015-09-16 — — EP claimed
US-8877774-B2 Compounds having muscarinic receptor antagonist and beta2 Adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2014-11-04 — — US claimed
US-20130045169-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2013-02-21 — — US claimed
EP-2718280-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMA SPA (IT) 2015-09-16 — — EP 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-20130045169-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B CHRM3 11/4885ADRB2 1/4885CACNA1C 701/4885

“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.

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