SCHEMBL909708

SCHEMBL909708

CC(C)(C)OC(=O)N(Cc1cc2c(cn1)OCCO2)C1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.35
SLC6A2 P23975 8/20 0.34
SLC6A4 P31645 8/20 0.34
SLC6A3 Q01959 7/20 0.34
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
CYP2D6 P10635 3/20 0.33
KCNH2 Q12809 2/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL10313844 0.96 TACR1 (0.34) TACR1SLC6A2SLC6A4SLC6A3NPC1
SCHEMBL10313826 0.88 CETP (0.32) NPC1KMT2ANR1H4KCNH2
SCHEMBL3223462 0.86 KCNH2 (0.32) SLC6A2SLC6A4SLC6A3KMT2AKCNH2
SCHEMBL10313858 0.86 KCNH2 (0.32) SLC6A2SLC6A4SLC6A3KMT2AKCNH2
SCHEMBL11999874 0.85 HSD11B1 (0.38) NR1H4
SCHEMBL2767755 0.85 KDM4E (0.37) TACR1SLC6A2SLC6A4SLC6A3KCNH2
Water SCHEMBL3517045 0.84 KDM4E (0.37) TACR1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL2799351 0.83 PIK3CA (0.37) NR1H4KCNH2
SCHEMBL12090865 0.82 HSD11B1 (0.37) NR1H4
SCHEMBL2799447 0.81 SLC6A2 (0.46) TACR1SLC6A2SLC6A4SLC6A3NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
US-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-8354426-B2 Naphthyridine derivative monohydrate and method for producing the same TOYAMA CHEMICAL CO., LTD. (JP) 2013-01-15 US disclosed
US-8354426-B2 Naphthyridine derivative monohydrate and method for producing the same TOYAMA CHEMICAL CO., LTD. (JP) 2013-01-15 US disclosed
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-20100256124-A1 Substituted 1-Methyl-1H-Quinolin-2-Ones And 1-Methyl-1H-1,5-Naphthyridin-2-Ones As Antibacterials GLAXO GROUP LIMITED (GB) 2010-10-07 US disclosed
US-20100249417-A1 NOVEL NAPHTHYRIDINE DERIVATIVE MONOHYDRATE AND METHOD FOR PRODUCING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 2010-09-30 US disclosed
US-20100249417-A1 NOVEL NAPHTHYRIDINE DERIVATIVE MONOHYDRATE AND METHOD FOR PRODUCING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 2010-09-30 US disclosed
EP-2221309-A1 NOVEL NAPHTHYRIDINE DERIVATIVE MONOHYDRATE AND METHOD FOR PRODUCING THE SAME Toyama Chemical Co., Ltd. (JP) 2010-08-25 EP disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2010-02-25 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 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 (6 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-20100249417-A1 NOVEL NAPHTHYRIDINE DERIVATIVE MONOHYDRATE AND METHOD FOR PRODUCING THE SAME QDPR, NDC1, NRDC TACR1 3783/4885SLC6A2 3231/4885SLC6A4 2908/4885
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF ROS1, NOX1, ARG1 TACR1 2754/4885SLC6A2 1703/4885SLC6A4 1947/4885
US-20100256124-A1 Substituted 1-Methyl-1H-Quinolin-2-Ones And 1-Methyl-1H-1,5-Naphthyridin-2-Ones As Antibacterials TOP1, TOP2A, NDC1 TACR1 4685/4885SLC6A2 1842/4885SLC6A4 3200/4885
US-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS NQO2, MT-ND1, SDHB TACR1 1516/4885SLC6A2 3608/4885SLC6A4 4012/4885
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 TACR1 3028/4885SLC6A2 2606/4885SLC6A4 2442/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 TACR1 3326/4885SLC6A2 2827/4885SLC6A4 2394/4885

“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.