SCHEMBL2495325

SCHEMBL2495325

O=C(O)[C@H]1CN2CCC1CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.51
▸ CHRNA7 P36544 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ CHRM2 P08172 4/20 0.44
▸ CHRM1 P11229 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CHRM4 P08173 1/20 0.41
▸ CHRM5 P08912 1/20 0.41
▸ CHRM3 P20309 1/20 0.41

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
SCHEMBL1617171 1.00 ALDH1A1 (0.51) ALDH1A1CHRNA7GAACHRM2CHRM1
SCHEMBL5171234 1.00 ALDH1A1 (0.51) ALDH1A1CHRNA7GAACHRM2CHRM1
SCHEMBL9343685 0.98 ALDH1A1 (0.50) ALDH1A1CHRNA7GAACHRM2CHRM1
Hydrochloric Acid SCHEMBL15329139 0.98 ALDH1A1 (0.54) ALDH1A1CHRNA7GAACHRM2CHRM1
Hydrochloric Acid SCHEMBL5105833 0.98 ALDH1A1 (0.54) ALDH1A1CHRNA7GAACHRM2CHRM1
Acetic Acid SCHEMBL11614488 0.94 ALDH1A1 (0.51) ALDH1A1CHRNA7GAACHRM2CHRM1
SCHEMBL4339192 0.88 CHRM2 (0.42) ALDH1A1CHRNA7CHRM2CHRM1MEN1
SCHEMBL4762996 0.88 CHRM2 (0.42) ALDH1A1CHRNA7CHRM2CHRM1MEN1
SCHEMBL7493133 0.88 CHRM2 (0.42) ALDH1A1CHRNA7CHRM2CHRM1MEN1
Acetonitrile SCHEMBL28099504 0.88 CHRM2 (0.49) ALDH1A1CHRNA7GAACHRM2CHRM1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4408838-A1 DIOXAZINES AND THEIR USE IN TREATMENT OF GBA-RELATED DISEASES Zevra Denmark A/S (DK) 2024-08-07 — — EP disclosed
WO-2023053007-A1 DIOXAZINES AND THEIR USE IN TREATMENT OF GBA-RELATED DISEASES KEMPHARM DENMARK A/S (DK) 2023-04-06 — — WO disclosed
US-20180325878-A1 N-BIARYLAMIDES BAYER IP GMBH (DE) 2018-11-15 — — US disclosed
US-9867812-B2 N-biarylamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-01-16 — — US disclosed
US-9867812-B2 N-biarylamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-01-16 — — US disclosed
US-9867812-B2 N-biarylamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-01-16 — — US disclosed
US-20160310474-A1 N-BIARYLAMIDES BAYER HEALTHCARE AG (DE) 2016-10-27 — — US disclosed
US-20160310474-A1 N-BIARYLAMIDES BAYER HEALTHCARE AG (DE) 2016-10-27 — — US disclosed
US-20160310474-A1 N-BIARYLAMIDES BAYER HEALTHCARE AG (DE) 2016-10-27 — — US disclosed
US-9227964-B2 N-biarylamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-05 — — US disclosed
US-7354930-B2 N-biarylamides BAYER HEALTHCARE AG (DE) 2008-04-08 — — US disclosed
US-20070112023-A1 (3R)-N-(4'-Aminobiphenyl-4-yl)quinuclidine-3-carboxamide dihydrochloride; nicotinic acetylcholine receptors of alpha7 subtype agonist; high permeability for calcium ions, increases glutamatergic neurotransmission, modulates neuronal plasticity; cognition activator, leaning and perception inhancement BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2007-05-17 — — US disclosed
US-20070112023-A1 (3R)-N-(4'-Aminobiphenyl-4-yl)quinuclidine-3-carboxamide dihydrochloride; nicotinic acetylcholine receptors of alpha7 subtype agonist; high permeability for calcium ions, increases glutamatergic neurotransmission, modulates neuronal plasticity; cognition activator, leaning and perception inhancement BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2007-05-17 — — US disclosed
US-20070112023-A1 (3R)-N-(4'-Aminobiphenyl-4-yl)quinuclidine-3-carboxamide dihydrochloride; nicotinic acetylcholine receptors of alpha7 subtype agonist; high permeability for calcium ions, increases glutamatergic neurotransmission, modulates neuronal plasticity; cognition activator, leaning and perception inhancement BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2007-05-17 — — US disclosed
EP-1487834-B1 AZA-BICYCLIC N-BIARYLAMIDES WITH AFFINITY FOR THE ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR BAYER HEALTHCARE AG (DE) 2007-04-25 — — EP disclosed
EP-1487834-B1 AZA-BICYCLIC N-BIARYLAMIDES WITH AFFINITY FOR THE ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR BAYER HEALTHCARE AG (DE) 2007-04-25 — — EP disclosed
EP-1651645-B1 N-BIARYLAMIDES BAYER HEALTHCARE AG (DE) 2007-02-21 — — EP disclosed
EP-1651645-B1 N-BIARYLAMIDES BAYER HEALTHCARE AG (DE) 2007-02-21 — — EP disclosed
US-7138410-B2 Aza-bicyclic N-biarylamides with affinity for the α7 nicotinic acetylcholine receptor BAYER HEALTHCARE AG (DE) 2006-11-21 — — US disclosed
US-20050154045-A1 Aza-bicyclic n-biarylamides with affinity for the alpha-7 nicotinic acetylcholine receptor BAYER HEALTHCARE AG (DE) 2005-07-14 — — 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 (4 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-20180325878-A1 N-BIARYLAMIDES BCHE, BACE2, ACHE ALDH1A1 2433/4885CHRNA7 190/4885GAA 59/4885
US-20070112023-A1 (3R)-N-(4'-Aminobiphenyl-4-yl)quinuclidine-3-carboxamide dihydrochloride; nicotinic acetylcholine receptors of alpha7 subtype agonist; high permeability for calcium ions, increases glutamatergic neurotransmission, modulates neuronal plasticity; cognition activator, leaning and perception inhancement CHRNA7, CHRNA3, CHRNA5 ALDH1A1 3160/4885CHRNA7 1/4885GAA 1619/4885
US-20050154045-A1 Aza-bicyclic n-biarylamides with affinity for the alpha-7 nicotinic acetylcholine receptor CHRNA7, CHRNA5, CHRNA2 ALDH1A1 1192/4885CHRNA7 1/4885GAA 744/4885
US-20160310474-A1 N-BIARYLAMIDES BCHE, BACE2, ACHE ALDH1A1 2433/4885CHRNA7 190/4885GAA 59/4885

“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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