SCHEMBL5088975

SCHEMBL5088975

CCNC(=O)Nc1ccc(-c2ccc(NC(=O)[C@H]3CN4CCC3CC4)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.45
PIK3CA P42336 4/20 0.45
PIK3CG P48736 1/20 0.45
CHRNA7 P36544 2/20 0.43
ABCB1 P08183 1/20 0.42
JAK1 P23458 1/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PIK3CD O00329 2/20 0.42
PTPN1 P18031 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL2496070 0.86 CHRNA7 (0.46) MTORPIK3CAPIK3CGCHRNA7RAB9A
SCHEMBL5949908 0.83 MEN1 (0.39) CHRNA7RAB9AMEN1NPC1KMT2A
SCHEMBL1459735 0.82 MAPT (0.48) RAB9AMEN1NPC1MAPTHPGD
SCHEMBL9970756 0.82 HPGD (0.48) JAK1RAB9AMEN1NPC1MAPT
SCHEMBL9967270 0.82 RAB9A (0.59) CHRNA7RAB9AMEN1NPC1MAPT
Hydrochloric Acid SCHEMBL5171211 0.81 MAPT (0.47) RAB9AMEN1NPC1MAPTHPGD
SCHEMBL1460442 0.81 LMNA (0.43) RAB9AMEN1NPC1MAPTHPGD
SCHEMBL5168960 0.81 LMNA (0.43) RAB9AMEN1NPC1MAPTHPGD
SCHEMBL10006859 0.81 LMNA (0.43) RAB9AMEN1NPC1MAPTHPGD
Hydrochloric Acid SCHEMBL2495034 0.81 HPGD (0.47) JAK1RAB9AMEN1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180325878-A1 N-BIARYLAMIDES BAYER IP GMBH (DE) 2018-11-15 US claimed
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-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-20140288118-A1 N-BIARYLAMIDES BAYER INTELLECTUAL PROPERTY GMBH 2014-09-25 US disclosed
US-20120157490-A1 N-BIARYLAMIDES BAYER HEALTHCARE AG (DE) 2012-06-21 US disclosed
US-8030329-B2 N-biarylamides BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-04 US disclosed
US-20080214602-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, learning and perception enhancement BAYER HEALTHCARE AG (DE) 2008-09-04 US disclosed
US-7354930-B2 N-biarylamides BAYER HEALTHCARE AG (DE) 2008-04-08 US disclosed
US-7354930-B2 N-biarylamides BAYER HEALTHCARE AG (DE) 2008-04-08 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-1651645-B1 N-BIARYLAMIDES BAYER HEALTHCARE AG (DE) 2007-02-21 EP 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 (6 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 MTOR 3473/4885PIK3CA 2346/4885PIK3CG 2373/4885
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 MTOR 3304/4885PIK3CA 2492/4885PIK3CG 1090/4885
US-20140288118-A1 N-BIARYLAMIDES BCHE, BACE2, ACHE MTOR 3473/4885PIK3CA 2346/4885PIK3CG 2373/4885
US-20120157490-A1 N-BIARYLAMIDES GRIN2A, BCHE, ACHE MTOR 4286/4885PIK3CA 2153/4885PIK3CG 1968/4885
US-20160310474-A1 N-BIARYLAMIDES BCHE, BACE2, ACHE MTOR 3473/4885PIK3CA 2346/4885PIK3CG 2373/4885
US-20080214602-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, learning and perception enhancement CHRNA7, CHRNA3, CHRNA2 MTOR 2910/4885PIK3CA 1240/4885PIK3CG 759/4885

“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.