SCHEMBL18016234

SCHEMBL18016234

CC(C)(C)OC(=O)N(Cc1ccc(C(=O)O)nc1)C[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 1/20 0.34
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ NCOR2 Q9Y618 1/20 0.33
▸ RAF1 P04049 1/20 0.31
▸ MAP2K1 Q02750 1/20 0.31
▸ ADRB2 P07550 5/20 0.31
▸ DRD2 P14416 2/20 0.31
▸ DRD1 P21728 2/20 0.31
▸ DRD4 P21917 2/20 0.31
▸ DRD3 P35462 2/20 0.31
▸ ELANE P08246 1/20 0.31
▸ BACE1 P56817 3/20 0.31
▸ ADRB1 P08588 1/20 0.30

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
SCHEMBL18016235 0.93 HDAC3 (0.32) HDAC3HDAC1HDAC2NCOR2
SCHEMBL18016236 0.92 HDAC3 (0.33) HDAC3HDAC1HDAC2NCOR2RAF1
SCHEMBL29631484 0.92 HDAC3 (0.33) HDAC3HDAC1HDAC2NCOR2RAF1
SCHEMBL17978841 0.91 HDAC3 (0.40) HDAC3HDAC1HDAC2NCOR2RAF1
SCHEMBL17979063 0.91 HDAC3 (0.40) HDAC3HDAC1HDAC2NCOR2RAF1
SCHEMBL17986026 0.89 ADRB2 (0.37) ADRB2ADRB1
SCHEMBL17986022 0.89 ADRB2 (0.37) ADRB2ADRB1
SCHEMBL17985918 0.88 HDAC3 (0.40) HDAC3HDAC1HDAC2NCOR2RAF1
SCHEMBL17985919 0.88 HDAC3 (0.40) HDAC3HDAC1HDAC2NCOR2RAF1
SCHEMBL18932254 0.87 HDAC3 (0.34) HDAC3HDAC1HDAC2NCOR2BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10196386-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2019-02-05 — — US disclosed
US-10004728-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2018-06-26 — — US disclosed
US-10004728-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2018-06-26 — — US disclosed
US-20180016267-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2018-01-18 — — US disclosed
US-20180016267-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2018-01-18 — — US disclosed
US-20170119753-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2017-05-04 — — US disclosed
US-20170119753-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2017-05-04 — — 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-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
WO-2016128456-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2016-08-18 — — WO 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 (5 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-20180016267-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B P4HTM 3560/4885HDAC3 2849/4885HDAC1 1701/4885
US-20160235734-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B P4HTM 3925/4885HDAC3 2504/4885HDAC1 1572/4885
US-10004728-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B P4HTM 3925/4885HDAC3 2504/4885HDAC1 1572/4885
US-10196386-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B P4HTM 3560/4885HDAC3 2849/4885HDAC1 1701/4885
US-20170119753-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B P4HTM 3925/4885HDAC3 2504/4885HDAC1 1572/4885

“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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