SCHEMBL9970768

SCHEMBL9970768

O=C(Nc1ccc(-c2ccc(NC(=O)[C@H]3CN4CCC3CC4)cc2)cc1)C1CCCC1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.66
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
RAB9A P51151 4/20 0.50
PTPN2 P17706 3/20 0.50
HPGD P15428 2/20 0.50
LMNA P02545 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PTPN6 P29350 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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 SCHEMBL2495321 0.99 PTPN1 (0.64) PTPN1MEN1KMT2ARAB9APTPN2
SCHEMBL9967270 0.86 RAB9A (0.59) PTPN1MEN1KMT2ARAB9APTPN2
SCHEMBL1459729 0.85 PTPN1 (0.54) PTPN1MEN1KMT2ARAB9AHPGD
SCHEMBL9967272 0.85 RAB9A (0.45) PTPN1MEN1KMT2ARAB9APTPN2
SCHEMBL9970791 0.85 EPHX1 (0.52) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL6554324 0.84 PTPN1 (0.53) PTPN1MEN1KMT2ARAB9ALMNA
Hydrochloric Acid SCHEMBL2492465 0.84 RAB9A (0.44) PTPN1MEN1KMT2ARAB9APTPN2
Hydrochloric Acid SCHEMBL5168864 0.84 PTPN1 (0.53) PTPN1MEN1KMT2ARAB9ALMNA
SCHEMBL10007116 0.84 LMNA (0.51) PTPN1MEN1KMT2ARAB9APTPN2
SCHEMBL9970766 0.84 PTPN1 (0.50) PTPN1MEN1KMT2ARAB9APTPN2

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 PTPN1 4844/4885MEN1 4500/4885KMT2A 2509/4885
US-20140288118-A1 N-BIARYLAMIDES BCHE, BACE2, ACHE PTPN1 4850/4885MEN1 2378/4885KMT2A 737/4885
US-20120157490-A1 N-BIARYLAMIDES GRIN2A, BCHE, ACHE PTPN1 4614/4885MEN1 3205/4885KMT2A 1435/4885
US-20160310474-A1 N-BIARYLAMIDES BCHE, BACE2, ACHE PTPN1 4850/4885MEN1 2378/4885KMT2A 737/4885
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 PTPN1 4830/4885MEN1 4712/4885KMT2A 1232/4885

“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.