SCHEMBL2966469

SCHEMBL2966469

Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.68
ALOX15 P16050 1/20 0.68
ALDH1A1 P00352 4/20 0.59
POLB P06746 2/20 0.57
HTT P42858 1/20 0.57
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
NPSR1 Q6W5P4 3/20 0.56
TSHR P16473 2/20 0.56
MAPK1 P28482 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HSD17B10 Q99714 1/20 0.56
LMNA P02545 2/20 0.55
RBP4 P02753 1/20 0.55
HPGD P15428 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
USP2 O75604 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL20524582 0.88 ALDH1A1 (0.65) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL3958403 0.85 ADRA2C (0.58) KDM4EALOX15ALDH1A1MEN1KMT2A
SCHEMBL29664576 0.85 ADRA2C (0.58) KDM4EALOX15ALDH1A1MEN1KMT2A
SCHEMBL21987068 0.82 MEN1 (0.72) KDM4EALOX15ALDH1A1POLBHTT
SCHEMBL20994080 0.81 KDM4E (0.68) KDM4EALOX15ALDH1A1POLBHTT
SCHEMBL12684757 0.81 ALDH1A1 (0.60) KDM4EALOX15ALDH1A1POLBHTT
SCHEMBL252026 0.80 HPGD (0.79) KDM4EALOX15ALDH1A1POLBMEN1
SCHEMBL7129676 0.80 HPGD (0.79) KDM4EALOX15ALDH1A1POLBMEN1
SCHEMBL12890006 0.80 ADRA2C (0.61) KDM4EALDH1A1MEN1KMT2ANPSR1
SCHEMBL1844184 0.79 TDP1 (0.71) ALDH1A1POLBHTTMEN1KMT2A

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 50 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
EP-2502911-A2 Modulators of ATP-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2012-09-26 EP disclosed
EP-2502902-A2 Modulators of ATP-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2012-09-26 EP disclosed
EP-2489659-A1 Modulators of ATP-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2012-08-22 EP disclosed
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 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
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 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

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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KDM4E 4262/4885ALOX15 3173/4885ALDH1A1 2165/4885
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 KDM4E 4262/4885ALOX15 3173/4885ALDH1A1 2165/4885
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KDM4E 4262/4885ALOX15 3173/4885ALDH1A1 2165/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 KDM4E 4262/4885ALOX15 3173/4885ALDH1A1 2165/4885
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KDM4E 4262/4885ALOX15 3173/4885ALDH1A1 2165/4885
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KDM4E 4262/4885ALOX15 3173/4885ALDH1A1 2165/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 KDM4E 4481/4885ALOX15 1774/4885ALDH1A1 2535/4885
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KDM4E 4262/4885ALOX15 3173/4885ALDH1A1 2165/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 KDM4E 4552/4885ALOX15 3295/4885ALDH1A1 2651/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 KDM4E 4649/4885ALOX15 3245/4885ALDH1A1 2221/4885

“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.