SCHEMBL10245078

SCHEMBL10245078

CC(C)(C)Cc1ccc(Cl)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
HRH1 P35367 1/20 0.36
HTR2B P41595 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MBOAT4 Q96T53 1/20 0.35
PTK2 Q05397 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DAO P14920 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
PLAU P00749 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CYP19A1 P11511 1/20 0.33
NFE2L2 Q16236 1/20 0.33

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
SCHEMBL19772058 0.80 MBOAT4 (0.35) TRPA1SLC6A2HTR2ASLC6A4HRH1
SCHEMBL22719068 0.79 TRPA1 (0.43) TRPA1MBOAT4DAOL3MBTL1PLAU
SCHEMBL31469752 0.79 TRPA1 (0.43) TRPA1MBOAT4DAOL3MBTL1PLAU
SCHEMBL19111144 0.78 PIK3CA (0.33) SCN10A
SCHEMBL10223944 0.77 ESR1 (0.45)
SCHEMBL10103887 0.77 CCR1 (0.44) DAOPLAUADRA2AADRA2BADRA2C
SCHEMBL14432066 0.76 NPSR1 (0.41) TRPA1MBOAT4PTK2TDP1DAO
SCHEMBL1311526 0.76
SCHEMBL29694997 0.76
SCHEMBL12162565 0.75 GBA1 (0.46) MBOAT4PLAUADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227429-A1 SULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-07-20 US disclosed
US-20230227429-A1 SULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-07-20 US disclosed
US-20230212140-A1 GLP-1 RECEPTOR AGONIST AND USE THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-07-06 US disclosed
US-11643403-B2 GLP-1 receptor agonist and use thereof ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-05-09 US disclosed
US-20230002348-A1 GLP-1 Receptor Agonist and Use Thereof ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-01-05 US disclosed
US-20210346353-A1 CD73 INHIBITORS ARCUS BIOSCIENCES, INC. 2021-11-11 US disclosed
US-20210054007-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2021-02-25 US disclosed
US-9868748-B2 Thiazolopyrrolidine inhibitors of ROR- γ VITAE PHARMACEUTICALS, INC. (US) 2018-01-16 US disclosed
US-9868748-B2 Thiazolopyrrolidine inhibitors of ROR- γ VITAE PHARMACEUTICALS, INC. (US) 2018-01-16 US disclosed
US-20170008910-A1 THIAZOLOPYRROLIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2017-01-12 US disclosed
US-20140349994-A1 Novel 2-Amino-4,5,6,8-Tetrahydropyrazolo[3,4-b]Thiazolo [4,5-d]Azepine Derivatives and Their Use as Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA S.A. (CH) 2014-11-27 US disclosed
US-8895580-B2 Quinolinone-pyrazolone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-11-25 US disclosed
US-8779129-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2014-07-15 US disclosed
US-20140187776-A1 MIXTURES OF MESOIONIC PESTICIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-07-03 US disclosed
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA S.A. (CH) 2013-05-16 US disclosed
US-8344138-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2013-01-01 US disclosed
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-08-02 US disclosed
US-20120115722-A1 MIXTURES OF MESOIONIC PESTICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-10 US disclosed
US-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA SA (CH) 2010-01-07 US disclosed
US-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA SA (CH) 2010-01-07 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 (13 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-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 TRPA1 337/4885SLC6A2 649/4885HTR2A 213/4885
US-20230002348-A1 GLP-1 Receptor Agonist and Use Thereof GLP1R, GIPR, GPR119 TRPA1 254/4885SLC6A2 1932/4885HTR2A 495/4885
US-20140187776-A1 MIXTURES OF MESOIONIC PESTICIDES DDT, C5, CBR3 TRPA1 76/4885SLC6A2 1554/4885HTR2A 3412/4885
US-20210054007-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF TACR1, TACR2, GPBAR1 TRPA1 349/4885SLC6A2 917/4885HTR2A 334/4885
US-20230227429-A1 SULPHONAMIDE COMPOUNDS MLKL, RIPK3, CASP1 TRPA1 1672/4885SLC6A2 2458/4885HTR2A 4312/4885
US-20140349994-A1 Novel 2-Amino-4,5,6,8-Tetrahydropyrazolo[3,4-b]Thiazolo [4,5-d]Azepine Derivatives and Their Use as Allosteric Modulators of Metabotropic Glutamate Receptors GRM4, GRM1, GRM5 TRPA1 365/4885SLC6A2 824/4885HTR2A 84/4885
US-20230212140-A1 GLP-1 RECEPTOR AGONIST AND USE THEREOF GLP1R, GIPR, GPR119 TRPA1 261/4885SLC6A2 1977/4885HTR2A 459/4885
US-11643403-B2 GLP-1 receptor agonist and use thereof GLP1R, GIPR, GPR119 TRPA1 261/4885SLC6A2 1977/4885HTR2A 459/4885
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRNA5 TRPA1 168/4885SLC6A2 1708/4885HTR2A 82/4885
US-20170008910-A1 THIAZOLOPYRROLIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA TRPA1 1310/4885SLC6A2 4770/4885HTR2A 4607/4885
US-20120115722-A1 MIXTURES OF MESOIONIC PESTICIDES DDT, C5, CBR3 TRPA1 76/4885SLC6A2 1554/4885HTR2A 3412/4885
US-20210346353-A1 CD73 INHIBITORS ENTPD5, ENTPD1, NT5E TRPA1 3812/4885SLC6A2 1322/4885HTR2A 1767/4885
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 TRPA1 337/4885SLC6A2 649/4885HTR2A 213/4885

“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.