SCHEMBL18918513

SCHEMBL18918513

CCOC(CCCNC(=O)c1ccc(CNC2(C(=O)OC3CN4CCC3CC4)Cc3ccccc3C2)s1)OCC

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 14/20 0.37
▸ CHRM2 P08172 10/20 0.37
▸ CHRM1 P11229 10/20 0.37
▸ ADRB2 P07550 2/20 0.36
▸ CHRM4 P08173 4/20 0.35
▸ CHRM5 P08912 4/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ CHRNA7 P36544 2/20 0.34
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ PDE4B Q07343 1/20 0.33

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
SCHEMBL18918512 1.00 CHRM3 (0.37) CHRM3CHRM2CHRM1ADRB2CHRM4
SCHEMBL18943231 0.83 EPHX1 (0.39) EPHX2
SCHEMBL23223983 0.79 EPHX1 (0.38) EPHX2
SCHEMBL18918491 0.76 ADRB2 (0.66) CHRM3ADRB2
SCHEMBL23198076 0.76 ADRB2 (0.66) CHRM3ADRB2
SCHEMBL18918487 0.76 ADRB2 (0.66) CHRM3ADRB2
SCHEMBL18918509 0.73 CHRM3 (0.54) CHRM3CHRM2CHRM1ADRB2CYP2D6
SCHEMBL18918507 0.73 CHRM3 (0.54) CHRM3CHRM2CHRM1ADRB2CYP2D6
SCHEMBL20477684 0.69 CHRM3 (0.48) CHRM3CHRM2CHRM1ADRB2CHRM4
SCHEMBL23198105 0.67 ADRB2 (0.81) CHRM3ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3383867-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2021-04-14 — — EP disclosed
EP-3383867-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.A. (IT) 2018-10-10 — — EP disclosed
US-9932338-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2018-04-03 — — US disclosed
US-20170158694-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2017-06-08 — — US disclosed
WO-2017093208-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2017-06-08 — — 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 (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-20170158694-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B CHRM3 10/4885CHRM2 8/4885CHRM1 16/4885

“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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