SCHEMBL9970771

SCHEMBL9970771

O=C(Nc1ccc(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1)[C@H]1CN2CCC1CC2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RXFP1 Q9HBX9 1/20 0.46
LMNA P02545 4/20 0.46
RAB9A P51151 2/20 0.46
UQCRB P14927 1/20 0.46
MAPT P10636 2/20 0.46
PSMD14 O00487 1/20 0.46
FGB P02675 1/20 0.46
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
PLEC Q15149 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 2/20 0.45
NPC1 O15118 1/20 0.45

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
Hydrochloric Acid SCHEMBL2495643 0.99 MEN1 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2RXFP1
SCHEMBL9967270 0.87 RAB9A (0.59) MEN1KMT2ASMN1; SMN2LMNARAB9A
SCHEMBL9970762 0.84 GPR55 (0.52) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL9970761 0.84 JAK2 (0.48) MEN1KMT2ASMN1; SMN2LMNARAB9A
SCHEMBL9970767 0.83 ALDH1A1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL2497728 0.83 GPR55 (0.51) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL2497707 0.83 JAK2 (0.48) MEN1KMT2ASMN1; SMN2LMNARAB9A
Hydrochloric Acid SCHEMBL2492460 0.82 ALDH1A1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL9970756 0.81 HPGD (0.48) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL9967280 0.81 KMT2A (0.52) MEN1KMT2AALDH1A1RXFP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 (5 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-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 MEN1 4500/4885KMT2A 2509/4885ALDH1A1 3160/4885
US-20140288118-A1 N-BIARYLAMIDES BCHE, BACE2, ACHE MEN1 2378/4885KMT2A 737/4885ALDH1A1 2433/4885
US-20120157490-A1 N-BIARYLAMIDES GRIN2A, BCHE, ACHE MEN1 3205/4885KMT2A 1435/4885ALDH1A1 2040/4885
US-20160310474-A1 N-BIARYLAMIDES BCHE, BACE2, ACHE MEN1 2378/4885KMT2A 737/4885ALDH1A1 2433/4885
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 MEN1 4712/4885KMT2A 1232/4885ALDH1A1 3402/4885

“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.