SCHEMBL18016259

SCHEMBL18016259

COc1cc(CN(C[C@H](C[Si](C)(C)C(C)(C)C)c2ccc(O)c3[nH]c(=O)ccc23)C(=O)OC(C)(C)C)ccc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 19/20 0.40
▸ ADRB1 P08588 13/20 0.40
▸ DRD2 P14416 2/20 0.40
▸ DRD1 P21728 2/20 0.40
▸ DRD4 P21917 2/20 0.40
▸ DRD3 P35462 2/20 0.40
▸ ADRB3 P13945 1/20 0.36

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
SCHEMBL17986027 0.88 ADRB2 (0.41) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL17986025 0.88 ADRB2 (0.41) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL18016255 0.87 ADRB2 (0.38) ADRB2ADRB1ADRB3
SCHEMBL18016261 0.86 ADRB2 (0.40) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL18016257 0.83 ADRB2 (0.40) ADRB2ADRB1ADRB3
SCHEMBL18016258 0.82 ADRB2 (0.39) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL18016256 0.81 ADRB2 (0.39) ADRB2ADRB1ADRB3
SCHEMBL19784426 0.80 ADRB2 (0.47) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL17986142 0.79 ADRB2 (0.36) ADRB2ADRB1ADRB3
SCHEMBL17986140 0.79 ADRB2 (0.36) 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 2/4885DRD2 388/4885

“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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