SCHEMBL18016255

SCHEMBL18016255

CC(C)(C)OC(=O)N(Cc1ccc(C(=O)O)cc1)C[C@H](C[Si](C)(C)C(C)(C)C)c1ccc(O)c2[nH]c(=O)ccc12

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 16/20 0.38
▸ ADRB1 P08588 7/20 0.37
▸ ADRB3 P13945 1/20 0.37
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35

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
SCHEMBL18016256 0.92 ADRB2 (0.39) ADRB2ADRB1ADRB3
SCHEMBL18016261 0.87 ADRB2 (0.40) ADRB2ADRB1
SCHEMBL18016259 0.87 ADRB2 (0.40) ADRB2ADRB1ADRB3
SCHEMBL17978784 0.86 ADRB2 (0.39) ADRB2ADRB1ADRB3HDAC3HDAC1
SCHEMBL17979195 0.86 ADRB2 (0.39) ADRB2ADRB1ADRB3HDAC3HDAC1
SCHEMBL18016257 0.80 ADRB2 (0.40) ADRB2ADRB1ADRB3
SCHEMBL17979058 0.79 ADRB2 (0.40) ADRB2ADRB1ADRB3
SCHEMBL17979061 0.79 ADRB2 (0.40) ADRB2ADRB1ADRB3
SCHEMBL18016258 0.79 ADRB2 (0.39) ADRB2ADRB1ADRB3
SCHEMBL17979010 0.78 ADRB2 (0.39) ADRB2ADRB1ADRB3

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-9579314-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2017-02-28 — — US disclosed
US-9579314-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2017-02-28 — — US disclosed
US-20160235734-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2016-08-18 — — US disclosed
US-20160235734-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2016-08-18 — — 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-20160235734-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B ADRB2 1/4885ADRB1 2/4885ADRB3 7/4885

“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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