SCHEMBL19782423

SCHEMBL19782423

O=C(OCC1CCN(Cc2ccccc2)CC1)C(O)(c1ccccc1)c1ccc(O)cc1

nearest known ligand 0.89

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.89
BCHE P06276 3/20 0.56
ACHE P22303 3/20 0.56
MAOB P27338 1/20 0.56
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55
CHRM4 P08173 2/20 0.53
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL19770153 1.00 CHRM3 (0.89) CHRM3BCHEACHEMAOBDRD2
SCHEMBL17985973 0.90 CHRM3 (0.83) CHRM3BCHEACHEMAOBDRD2
SCHEMBL17978694 0.90 CHRM3 (0.83) CHRM3BCHEACHEMAOBDRD2
SCHEMBL19770175 0.85 CHRM3 (0.82) CHRM3BCHEACHEMAOBDRD2
SCHEMBL22829200 0.85 CHRM3 (0.64) CHRM3CHRM4MEN1GAAKMT2A
SCHEMBL22829198 0.85 CHRM3 (0.64) CHRM3CHRM4MEN1GAAKMT2A
SCHEMBL19770151 0.85 CHRM3 (0.64) CHRM3MEN1GAAKMT2A
SCHEMBL19770161 0.85 CHRM3 (0.64) CHRM3MEN1GAAKMT2A
SCHEMBL19782425 0.85 CHRM3 (0.77) CHRM3BCHEACHEMAOBDRD2
SCHEMBL19770162 0.85 CHRM3 (0.77) CHRM3BCHEACHEMAOBDRD2

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 3 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-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 CHRM3 13/4885BCHE 644/4885ACHE 374/4885
US-10196386-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B CHRM3 13/4885BCHE 644/4885ACHE 374/4885

“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.