SCHEMBL9969490

SCHEMBL9969490

CC(C)(C)CCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.55
ACHE P22303 1/20 0.51
CHRM2 P08172 3/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL12362807 0.89 CHRM2 (0.56) CHRM2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL12933270 0.87 TDP1 (0.56) CHRM2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL20963020 0.85 GLS (0.49) GLSACHECHRM2MEN1CYP1A2
SCHEMBL4395759 0.85 GLS (0.52) GLSACHECHRM2MEN1CYP1A2
SCHEMBL25488435 0.83 HPGD (0.53) GLSMEN1KMT2A
SCHEMBL10243309 0.83 MAOB (0.56) GLSACHE
SCHEMBL13625081 0.83 HEXA (0.55) GLSACHE
SCHEMBL18409910 0.82 GLS (0.49) GLSACHECHRM2MEN1CYP1A2
SCHEMBL21744520 0.82 CHRM2 (0.49) GLSACHECHRM2MEN1CYP1A2
SCHEMBL9430060 0.82 RAB9A (0.50) GLSACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11319289-B2 5-hydroxy pyridine-based compound for use as P2X1 and P2X3 receptor antagonist and pharmaceutical composition comprising same GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2022-05-03 US disclosed
US-20200131131-A1 NOVEL 5-HYDROXY PYRIDINE-BASED COMPOUND FOR USE AS P2X1 AND P2X3 RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2020-04-30 US disclosed
US-20180224422-A1 CONTROLLED TUNNEL GAP DEVICE FOR SEQUENCING POLYMERS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2018-08-09 US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-9810681-B2 Controlled tunnel gap device for sequencing polymers ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2017-11-07 US disclosed
US-20170101429-A1 METAL ORGANIC FRAMEWORKS COMPRISING A PLURALITY OF SBUS WITH DIFFERENT METAL IONS AND/OR A PLURALITY OF ORGANIC LINKING LIGANDS WITH DIFFERENT FUNCTIONAL GROUPS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-04-13 US disclosed
US-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS THE SCRIPPS RESEARCH INSTITUTE (US) 2016-08-25 US disclosed
US-20160097759-A1 CONTROLLED TUNNEL GAP DEVICE FOR SEQUENCING POLYMERS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2016-04-07 US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 US disclosed
US-20140011799-A1 SULFONYL CONTAINING BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2014-01-09 US disclosed
US-20130045935-A1 FLAVONOID DIMERS AND THEIR USE THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2013-02-21 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US 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 (10 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-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 GLS 396/4885ACHE 2598/4885CHRM2 1854/4885
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 GLS 396/4885ACHE 2598/4885CHRM2 1854/4885
US-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS NQO1, TXN2, MPO GLS 214/4885ACHE 1511/4885CHRM2 4698/4885
US-20170101429-A1 METAL ORGANIC FRAMEWORKS COMPRISING A PLURALITY OF SBUS WITH DIFFERENT METAL IONS AND/OR A PLURALITY OF ORGANIC LINKING LIGANDS WITH DIFFERENT FUNCTIONAL GROUPS EPCAM, SOD1, SBDS GLS 2457/4885ACHE 1014/4885CHRM2 1367/4885
US-11319289-B2 5-hydroxy pyridine-based compound for use as P2X1 and P2X3 receptor antagonist and pharmaceutical composition comprising same P2RX5, P2RX3, P2RX1 GLS 3310/4885ACHE 960/4885CHRM2 1091/4885
US-20200131131-A1 NOVEL 5-HYDROXY PYRIDINE-BASED COMPOUND FOR USE AS P2X1 AND P2X3 RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME P2RX5, P2RX3, P2RX1 GLS 3134/4885ACHE 995/4885CHRM2 1033/4885
US-20130045935-A1 FLAVONOID DIMERS AND THEIR USE DHFR, CCNY, ETFB GLS 792/4885ACHE 3938/4885CHRM2 4452/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC GLS 235/4885ACHE 1165/4885CHRM2 3436/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 GLS 396/4885ACHE 2598/4885CHRM2 1854/4885
US-20140011799-A1 SULFONYL CONTAINING BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LPL, LIPE GLS 358/4885ACHE 472/4885CHRM2 4367/4885

“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.