SCHEMBL1234896

SCHEMBL1234896

O=C(OC1CN2CCC1CC2)C(=O)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.65
CHRNA7 P36544 2/20 0.62
BCHE P06276 1/20 0.62
ACHE P22303 1/20 0.62
CHRM3 P20309 7/20 0.60
CHRM2 P08172 6/20 0.60
CHRM1 P11229 6/20 0.60
CHRM4 P08173 1/20 0.59
CHRM5 P08912 1/20 0.59
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
TSHR P16473 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55

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
SCHEMBL1234895 1.00 CYP2D6 (0.65) CYP2D6CHRNA7BCHEACHECHRM3
SCHEMBL7824053 0.86 CYP2D6 (0.62) CYP2D6CHRNA7BCHEACHECHRM3
SCHEMBL7824049 0.86 CYP2D6 (0.62) CYP2D6CHRNA7BCHEACHECHRM3
Benzoclidine SCHEMBL342347 0.85 GLA (0.74) CYP2D6CHRNA7BCHEACHECHRM3
Benzoclidine SCHEMBL1542430 0.85 GLA (0.74) CYP2D6CHRNA7BCHEACHECHRM3
Benzoclidine SCHEMBL1542330 0.85 GLA (0.74) CYP2D6CHRNA7BCHEACHECHRM3
SCHEMBL71757 0.78 CHRM2 (0.51) CYP2D6CHRNA7BCHEACHECHRM3
SCHEMBL1233315 0.78 CHRM3 (0.59) CHRNA7BCHEACHECHRM3CHRM2
SCHEMBL71851 0.78 CHRM3 (0.59) CHRNA7BCHEACHECHRM3CHRM2
SCHEMBL1234796 0.78 CHRM2 (0.51) CYP2D6CHRNA7BCHEACHECHRM3

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
EP-3256464-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2022-05-11 EP disclosed
CN-107207473-B Compounds having muscarinic receptor antagonist and β 2 adrenergic receptor agonist activity 奇斯药制品公司 2020-07-07 CN 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
EP-3256464-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.A. (IT) 2017-12-20 EP 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-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
US-7893087-B2 3(R)-1-Phenethyl-(9[H]-xanthene-9-carbonyloxy)-1-azoniabicyclo[2.2.2] octane quaternary salt with a mono- or polyvalent anion; antimuscarinic agents used to treat chronic obstructive pulmonary disease, chronic bronchitis, bronchial hyperreactivity, asthma, or rhinitis ALMIRALL, S.A. (ES) 2011-02-22 US disclosed
US-7879874-B2 3(R)-1-Phenethyl-(9[H]-xanthene-9-carbonyloxy)-1-azoniabicyclo[2.2.2] octane quaternary salt with a mono- or polyvalent anion; antimuscarinic agents used to treat chronic obstructive pulmonary disease, chronic bronchitis, bronchial hyperreactivity, asthma, or rhinitis ALMIRALL, S.A. (ES) 2011-02-01 US disclosed
US-4465834-A Anticholinergic drugs FMC CORPORATION (US) 1984-08-14 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 (3 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 CYP2D6 1607/4885CHRNA7 26/4885BCHE 718/4885
US-10004728-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B CYP2D6 1607/4885CHRNA7 26/4885BCHE 718/4885
US-20170119753-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B CYP2D6 1607/4885CHRNA7 26/4885BCHE 718/4885

“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.