SCHEMBL909709

SCHEMBL909709

CC(C)(C)N1CCC(N(Cc2cc3c(cn2)OCCO3)C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 2/20 0.40
DCUN1D1 Q96GG9 2/20 0.40
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
CHRNA7 P36544 1/20 0.35
NPC1 O15118 1/20 0.35
KCNH2 Q12809 10/20 0.35
KMT2A Q03164 1/20 0.34
HTR2A P28223 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
SCHEMBL3223473 0.85 KCNH2 (0.34) LMNATSHRCHRNA7NPC1KCNH2
SCHEMBL5040313 0.83 DCUN1D1 (0.38) UBE2MDCUN1D1CHRNA7KCNH2HTR2A
SCHEMBL2767755 0.82 KDM4E (0.37) DCUN1D1CHRNA7KCNH2
Water SCHEMBL3517045 0.81 KDM4E (0.37) DCUN1D1KCNH2
SCHEMBL2799450 0.81 UBE2M (0.58) UBE2MDCUN1D1LMNATSHR
SCHEMBL3515920 0.81 CHRM2 (0.53) UBE2MDCUN1D1LMNA
SCHEMBL12081174 0.80 HTR2A (0.35) UBE2MDCUN1D1KCNH2HTR2A
SCHEMBL2799356 0.79 UBE2M (0.34) UBE2MDCUN1D1LMNATSHRCHRNA7
SCHEMBL4140059 0.78 ALDH1A1 (0.36) DCUN1D1NPC1KCNH2
SCHEMBL11999874 0.77 HSD11B1 (0.38) UBE2MDCUN1D1LMNA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-20110009394-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2011-01-13 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-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
EP-2001887-A1 PYRROLO-QUINOXALINONE DERIVATIVES AS ANTIBACTERIALS Glaxo Group Limited (GB) 2008-12-17 EP disclosed
WO-2007115947-A1 PYRROLO-QUINOXALINONE DERIVATIVES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2007-10-18 WO disclosed
EP-1578743-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-29 EP disclosed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 EP disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 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 (4 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-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF ROS1, NOX1, ARG1 UBE2M 2433/4885DCUN1D1 1317/4885LMNA 4185/4885
US-20100256124-A1 Substituted 1-Methyl-1H-Quinolin-2-Ones And 1-Methyl-1H-1,5-Naphthyridin-2-Ones As Antibacterials TOP1, TOP2A, NDC1 UBE2M 286/4885DCUN1D1 768/4885LMNA 1679/4885
US-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS NQO2, MT-ND1, SDHB UBE2M 3241/4885DCUN1D1 2601/4885LMNA 1811/4885
US-20110009394-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS NRDC, NCL, NPM1 UBE2M 294/4885DCUN1D1 2004/4885LMNA 2592/4885

“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.