SCHEMBL398886

SCHEMBL398886

CC(CN(C)C(=O)O)c1ccc(N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GRIA4 P48058 1/20 0.39
HPGD P15428 1/20 0.38
ITGB1 P05556 2/20 0.38
ITGA5 P08648 2/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CNR2 P34972 2/20 0.36
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
FFAR1 O14842 2/20 0.36
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
PHLPP2 Q6ZVD8 1/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL398350 0.79 AAK1 (0.36) AOC3KDM4EGRIA4ALDH1A1PHLPP2
SCHEMBL396137 0.78 ALDH1A1 (0.48) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL5691985 0.74 FFAR1 (0.59) SMN1; SMN2MEN1KMT2AGRIA4POLB
SCHEMBL5691981 0.74 FFAR1 (0.59) SMN1; SMN2MEN1KMT2AGRIA4POLB
SCHEMBL1626716 0.73 ABCB11 (0.44) MEN1KMT2AGRIA4HPGDTDP1
SCHEMBL27953749 0.72 FFAR1 (0.41) SMN1; SMN2KDM4EGRIA4HPGDITGB1
SCHEMBL4806015 0.72 RAB9A (0.50) SMN1; SMN2MEN1KMT2AHPGDITGB1
SCHEMBL2692841 0.71 USP5 (0.47) SMN1; SMN2GRIA4POLBTDP1ALDH1A1
SCHEMBL19257724 0.71 GRIA4 (0.41) SMN1; SMN2GRIA4POLBTDP1ALDH1A1
SCHEMBL12883299 0.71 ACHE (0.46) SMN1; SMN2KDM4EGRIA4POLBTDP1

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 56 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-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
EP-3216787-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-13 EP disclosed
EP-2502911-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2017-04-05 EP disclosed
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-03 US disclosed
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-11-05 US disclosed
US-20150293078-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED 2015-10-15 US disclosed
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2015-08-20 US disclosed
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-03 US disclosed
US-20090246820-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED 2009-10-01 US disclosed
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-10 US disclosed
US-7495103-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 US disclosed
EP-1974212-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH Vertex Pharmaceuticals Incorporated (US) 2008-10-01 EP disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
WO-2007075946-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed
EP-1773816-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2007-04-18 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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 AOC3 3972/4885SMN1; SMN2 4837/4885KDM4E 4262/4885
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 AOC3 3972/4885SMN1; SMN2 4837/4885KDM4E 4262/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 AOC3 3972/4885SMN1; SMN2 4837/4885KDM4E 4262/4885
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 AOC3 3972/4885SMN1; SMN2 4837/4885KDM4E 4262/4885
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 AOC3 3972/4885SMN1; SMN2 4837/4885KDM4E 4262/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 AOC3 3248/4885SMN1; SMN2 3332/4885KDM4E 4481/4885
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 AOC3 3972/4885SMN1; SMN2 4837/4885KDM4E 4262/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 AOC3 3803/4885SMN1; SMN2 4860/4885KDM4E 4552/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 AOC3 3724/4885SMN1; SMN2 4740/4885KDM4E 4649/4885

“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.