SCHEMBL9970762

SCHEMBL9970762

O=C(Nc1ccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1)[C@H]1CN2CCC1CC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 3/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NAMPT P43490 2/20 0.50
ALDH1A1 P00352 3/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
SLC12A2 P55011 1/20 0.48
SLC12A5 Q9H2X9 1/20 0.48
KDM4E B2RXH2 1/20 0.48
KCNH2 Q12809 2/20 0.48
HRH3 Q9Y5N1 2/20 0.48
HTT P42858 1/20 0.47

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 SCHEMBL2497728 0.99 GPR55 (0.51) GPR55SMN1; SMN2MEN1KMT2ANAMPT
SCHEMBL9970771 0.84 MEN1 (0.48) GPR55SMN1; SMN2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL2495643 0.83 MEN1 (0.47) GPR55SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9967270 0.82 RAB9A (0.59) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL9970761 0.81 JAK2 (0.48) SMN1; SMN2MEN1KMT2ANAMPTMAPT
Hydrochloric Acid SCHEMBL2497707 0.80 JAK2 (0.48) SMN1; SMN2MEN1KMT2ANAMPTMAPT
SCHEMBL9967280 0.79 KMT2A (0.52) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL9970757 0.79 POLB (0.51) GPR55SMN1; SMN2MEN1KMT2ANAMPT
SCHEMBL16690121 0.79 MEN1 (0.67) GPR55SMN1; SMN2MEN1KMT2ANAMPT
Hydrochloric Acid SCHEMBL2492452 0.78 KMT2A (0.51) MEN1KMT2AALDH1A1POLBMAPT

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 14 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-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-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 GPR55 541/4885SMN1; SMN2 1606/4885MEN1 4500/4885
US-20140288118-A1 N-BIARYLAMIDES BCHE, BACE2, ACHE GPR55 3821/4885SMN1; SMN2 139/4885MEN1 2378/4885
US-20120157490-A1 N-BIARYLAMIDES GRIN2A, BCHE, ACHE GPR55 1227/4885SMN1; SMN2 118/4885MEN1 3205/4885
US-20160310474-A1 N-BIARYLAMIDES BCHE, BACE2, ACHE GPR55 3821/4885SMN1; SMN2 139/4885MEN1 2378/4885
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 GPR55 907/4885SMN1; SMN2 2212/4885MEN1 4712/4885

“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.