SCHEMBL19782581

SCHEMBL19782581

CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2cncc(Cl)n2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GRM5 P41594 1/20 0.40
▸ BTK Q06187 3/20 0.39
▸ EIF2AK4 Q9P2K8 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ CKS1B P61024 1/20 0.38
▸ SKP1 P63208 1/20 0.38
▸ SKP2 Q13309 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ CD38 P28907 2/20 0.37
▸ PIK3CD O00329 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CTSA P10619 1/20 0.35
▸ S1PR3 Q99500 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
SCHEMBL16984569 0.82 USP30 (0.48) —
SCHEMBL22829190 0.81 GRM5 (0.45) GRM5CD38CTSAS1PR3
SCHEMBL22829189 0.81 GRM5 (0.45) GRM5CD38CTSAS1PR3
SCHEMBL16984504 0.81 CFTR (0.45) KMT2AL3MBTL1BTKJAK3CKS1B
SCHEMBL16984512 0.80 USP30 (0.51) KMT2AL3MBTL1
SCHEMBL19782582 0.79 USP30 (0.44) KMT2AL3MBTL1BTKEIF2AK4JAK3
SCHEMBL16984593 0.79 PARP1 (0.48) BTKJAK3CKS1BSKP1SKP2
SCHEMBL21561329 0.77 KMT2A (0.43) KMT2AL3MBTL1GRM5BTKKDM1A
SCHEMBL19784084 0.76 CNR1 (0.50) KMT2AGRM5CD38GAA
SCHEMBL17108790 0.75 JAK3 (0.53) KMT2ABTKEIF2AK4JAK3CKS1B

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-3484879-B1 HYDROXYQUINOLINONE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2020-12-30 — — EP disclosed
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-20180016267-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2018-01-18 — — US disclosed
WO-2018011090-A1 HYDROXYQUINOLINONE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2018-01-18 — — 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 (2 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 KMT2A 3185/4885L3MBTL1 4129/4885GRM5 564/4885
US-10196386-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B KMT2A 3185/4885L3MBTL1 4129/4885GRM5 564/4885

“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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