SCHEMBL17985994

SCHEMBL17985994

O=C(COc1cccc([C@](O)(C(=O)O)c2ccccc2)c1)NC1CC(NC(=O)c2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)C1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.67
▸ CHRM3 P20309 16/20 0.55
▸ ADRB1 P08588 1/20 0.53
▸ ADRB3 P13945 1/20 0.53

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
SCHEMBL17985995 1.00 ADRB2 (0.67) ADRB2CHRM3ADRB1ADRB3
SCHEMBL17978950 1.00 ADRB2 (0.67) ADRB2CHRM3ADRB1ADRB3
SCHEMBL17986156 0.96 ADRB2 (0.67) ADRB2CHRM3ADRB1ADRB3
SCHEMBL17986160 0.96 ADRB2 (0.67) ADRB2CHRM3ADRB1ADRB3
SCHEMBL17986159 0.96 ADRB2 (0.67) ADRB2CHRM3ADRB1ADRB3
SCHEMBL17986015 0.94 ADRB2 (0.75) ADRB2CHRM3
SCHEMBL17978678 0.94 ADRB2 (0.75) ADRB2CHRM3
SCHEMBL17986014 0.94 ADRB2 (0.75) ADRB2CHRM3
SCHEMBL17985875 0.94 ADRB2 (0.68) ADRB2CHRM3ADRB1ADRB3
SCHEMBL17985877 0.94 ADRB2 (0.68) ADRB2CHRM3ADRB1ADRB3

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
US-10004728-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2018-06-26 — — US claimed
US-20170119753-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2017-05-04 — — US claimed
US-9579314-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2017-02-28 — — US claimed
US-20160235734-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2016-08-18 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20160235734-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B ADRB2 1/4885CHRM3 12/4885ADRB1 2/4885
US-10004728-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B ADRB2 1/4885CHRM3 12/4885ADRB1 2/4885
US-20170119753-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B ADRB2 1/4885CHRM3 12/4885ADRB1 2/4885

“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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