SCHEMBL1090962

SCHEMBL1090962

CC(C)(C)OC(=O)Nc1ccc2cc(C(=O)O)sc2c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.48
BCL2L1 Q07817 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
LEF1 Q9UJU2 1/20 0.42
GPR35 Q9HC97 1/20 0.41
CA2 P00918 1/20 0.40
PSMB8 P28062 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
SCHEMBL16396248 0.90 HDAC1 (0.48) HDAC1BCL2L1CA12CA1CA9
SCHEMBL6230442 0.84 CA12 (0.47) CA12CA1CA9LEF1CA2
SCHEMBL5201077 0.83 CA12 (0.42) HDAC1CA12CA1CA9LEF1
SCHEMBL22825030 0.80 HDAC1 (0.56) HDAC1
SCHEMBL22824938 0.77 HDAC1 (0.43) HDAC1BCL2L1CA12CA1CA9
SCHEMBL7078947 0.77 HDAC1 (0.54) HDAC1
SCHEMBL3968727 0.77 CA12 (0.48) HDAC1CA12CA1CA9LEF1
SCHEMBL14079744 0.76 LDHA (0.67)
SCHEMBL22825116 0.76 HDAC1 (0.43) HDAC1LEF1
SCHEMBL6113073 0.75 KAT6A (0.48) HDAC1CA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10196388-B2 Azabicyclic carbamates and their use as alpha-7 nicotinic acetylcholine receptor agonists BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-02-05 US disclosed
US-10196388-B2 Azabicyclic carbamates and their use as alpha-7 nicotinic acetylcholine receptor agonists BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-02-05 US disclosed
US-20180127409-A1 AZABICYCLIC CARBAMATES AND THEIR USE AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-10 US disclosed
US-20180127409-A1 AZABICYCLIC CARBAMATES AND THEIR USE AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-10 US disclosed
US-20180127409-A1 AZABICYCLIC CARBAMATES AND THEIR USE AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-10 US disclosed
US-9714242-B2 Azabicyclic carbamates and their use as alpha-7 nicotinic acetylcholine receptor agonists BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-07-25 US disclosed
US-9714242-B2 Azabicyclic carbamates and their use as alpha-7 nicotinic acetylcholine receptor agonists BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-07-25 US disclosed
US-9714242-B2 Azabicyclic carbamates and their use as alpha-7 nicotinic acetylcholine receptor agonists BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-07-25 US disclosed
US-20150065537-A1 AZABICYCLIC CARBAMATES AND THEIR USE AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-03-05 US disclosed
US-20150065537-A1 AZABICYCLIC CARBAMATES AND THEIR USE AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-03-05 US disclosed
US-7732477-B2 N-(1-azabicyclo[2.2.2]oct-3-yl)-heteroaryl carboxamides; alpha 7-nicotinic acetylcholine receptors (nAChR) agonists; improving perception, concentration, learning and memory; neuropathic pain; acute and chronic pain BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-08 US disclosed
US-7732477-B2 N-(1-azabicyclo[2.2.2]oct-3-yl)-heteroaryl carboxamides; alpha 7-nicotinic acetylcholine receptors (nAChR) agonists; improving perception, concentration, learning and memory; neuropathic pain; acute and chronic pain BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-08 US disclosed
EP-1527073-B1 BENZOTHIOPHENE UREA, BENZOFURANE UREA, AND INDOLE UREA, AND USE OF THE SAME AS ALPHA-7 ACHR AGONISTS BAYER HEALTHCARE AG (DE) 2007-08-22 EP disclosed
EP-1527073-B1 BENZOTHIOPHENE UREA, BENZOFURANE UREA, AND INDOLE UREA, AND USE OF THE SAME AS ALPHA-7 ACHR AGONISTS BAYER HEALTHCARE AG (DE) 2007-08-22 EP disclosed
EP-1461335-B1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2007-02-28 EP disclosed
EP-1461335-B1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2007-02-28 EP disclosed
US-20060106096-A1 Azabicyclic carbamates and their use as alpha-7 nicotinic acetylcholine receptor agonists BAYER HEALTH AG (DE) 2006-05-18 US disclosed
US-20050119325-A1 N-(1-azabicyclo[2.2.2]oct-3-yl)-heteroaryl carboxamides; alpha 7-nicotinic acetylcholine receptors (nAChR) agonists; improving perception, concentration, learning and memory; neuropathic pain; acute and chronic pain FMR LLC 2005-06-02 US disclosed
EP-1461335-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES Bayer HealthCare AG (DE) 2004-09-29 EP disclosed
WO-2003055878-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2003-07-10 WO 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-20150065537-A1 AZABICYCLIC CARBAMATES AND THEIR USE AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS CHRNA7, CHRNA5, CHRNA4 HDAC1 797/4885BCL2L1 2385/4885CA12 1938/4885
US-20180127409-A1 AZABICYCLIC CARBAMATES AND THEIR USE AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS CHRNA7, CHRNA5, CHRNA4 HDAC1 797/4885BCL2L1 2385/4885CA12 1938/4885
US-20060106096-A1 Azabicyclic carbamates and their use as alpha-7 nicotinic acetylcholine receptor agonists CHRNA7, CHRNA5, CHRNA4 HDAC1 695/4885BCL2L1 2402/4885CA12 1680/4885
US-20050119325-A1 N-(1-azabicyclo[2.2.2]oct-3-yl)-heteroaryl carboxamides; alpha 7-nicotinic acetylcholine receptors (nAChR) agonists; improving perception, concentration, learning and memory; neuropathic pain; acute and chronic pain CHRNA2, CHRNA7, CHRNA3 HDAC1 937/4885BCL2L1 3373/4885CA12 3307/4885
US-10196388-B2 Azabicyclic carbamates and their use as alpha-7 nicotinic acetylcholine receptor agonists CHRNA7, CHRNA5, CHRNA4 HDAC1 797/4885BCL2L1 2385/4885CA12 1938/4885

“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.