SCHEMBL395409

SCHEMBL395409

CC(C)(C)N(Cc1cccc(N)c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 4/20 0.49
ALDH1A1 P00352 1/20 0.46
HSD11B1 P28845 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TSHR P16473 1/20 0.44
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GRM2 Q14416 1/20 0.40
GRM3 Q14832 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
OPRK1 P41145 1/20 0.39
RIPK1 Q13546 2/20 0.39

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
SCHEMBL1205533 0.85 MAOA (0.49) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL689321 0.84 MEN1 (0.51) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL8773482 0.83 MEN1 (0.69) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL5343307 0.83 MEN1 (0.53) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL186800 0.83 MEN1 (0.53) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL396085 0.82 HSD11B1 (0.41) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL1946468 0.82 MAOA (0.46) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL27476357 0.82 MEN1 (0.44) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL335254 0.82 MEN1 (0.50) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL2694899 0.81 MEN1 (0.51) MEN1KMT2AHTTL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10071980-B2 Agonists that enhanced binding of integrin-expressing cells to integrin receptors TEXAS HEART INSTITUTE (US) 2018-09-11 US disclosed
US-10035784-B2 Agonists that enhanced binding of integrin-expressing cells to integrin receptors TEXAS HEART INSTITUTE (US) 2018-07-31 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
EP-3216787-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-13 EP disclosed
EP-1944305-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2008-07-16 EP disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
EP-1633748-B1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2008-03-05 EP disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
EP-1773816-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2007-04-18 EP disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-20060178416-A1 Quinoline derivatives as phosphodiesterase inhibitors BARKER MICHAEL D 2006-08-10 US disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 US disclosed
WO-2006002421-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-05 WO disclosed
US-6867299-B2 Inosine monophosphate dehydrogenase (IMPDH); use as immunosuppressants, anticancer agents and antiviral agents HOFFMANN-LA ROCHE INC. (US) 2005-03-15 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 (12 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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MEN1 4698/4885KMT2A 4245/4885HTT 1579/4885
US-10035784-B2 Agonists that enhanced binding of integrin-expressing cells to integrin receptors ITGB7, ITGAL, ITGB1 MEN1 3845/4885KMT2A 4178/4885HTT 4883/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK MEN1 544/4885KMT2A 921/4885HTT 2625/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 MEN1 4698/4885KMT2A 4245/4885HTT 1579/4885
US-20060178416-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A MEN1 2927/4885KMT2A 2592/4885HTT 3765/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 MEN1 4778/4885KMT2A 4546/4885HTT 3305/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 MEN1 4791/4885KMT2A 4510/4885HTT 3118/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK MEN1 636/4885KMT2A 929/4885HTT 2188/4885
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A MEN1 2927/4885KMT2A 2592/4885HTT 3765/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK MEN1 636/4885KMT2A 929/4885HTT 2188/4885
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A MEN1 2927/4885KMT2A 2592/4885HTT 3765/4885
US-10071980-B2 Agonists that enhanced binding of integrin-expressing cells to integrin receptors ITGB7, ITGAL, ITGB1 MEN1 3845/4885KMT2A 4178/4885HTT 4883/4885

“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.