SCHEMBL3217898

SCHEMBL3217898

O=C(O)N(Cc1cc2c(nn1)OCCO2)C1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.37
SLC6A2 P23975 11/20 0.37
SLC6A3 Q01959 4/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
TACR1 P25103 3/20 0.35
KCNH2 Q12809 4/20 0.34
MAPKAPK2 P49137 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 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
SCHEMBL2767755 0.82 KDM4E (0.37) SLC6A4SLC6A2SLC6A3DCUN1D1TACR1
Water SCHEMBL3517045 0.81 KDM4E (0.37) SLC6A4SLC6A2SLC6A3DCUN1D1TACR1
SCHEMBL4140059 0.78 ALDH1A1 (0.36) SLC6A4SLC6A2SLC6A3DCUN1D1TACR1
SCHEMBL2797989 0.74 SLC6A2 (0.50) SLC6A4SLC6A2SLC6A3DCUN1D1TACR1
SCHEMBL4303636 0.73 KCNH2 (0.43) KCNH2
SCHEMBL4148139 0.72 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3DCUN1D1TACR1
SCHEMBL3843879 0.72 KCNH2 (0.34) KCNH2KDM4EALDH1A1MAPT
SCHEMBL909708 0.68 TACR1 (0.35) SLC6A4SLC6A2SLC6A3TACR1KCNH2
SCHEMBL4131766 0.67 KCNH2 (0.32) SLC6A4SLC6A2KCNH2KDM4EALDH1A1
SCHEMBL3223010 0.67 KCNH2 (0.32) SLC6A4SLC6A2KCNH2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20100056502-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-03-04 US disclosed
EP-2125813-A2 COMPOUNDS Glaxo Group Limited (GB) 2009-12-02 EP disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
EP-2044077-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES Glaxo Group Limited (GB) 2009-04-08 EP disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed
WO-2008116815-A2 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-02 WO disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 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 (2 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-20100056502-A1 COMPOUNDS NRDC, NACA, NAA50 SLC6A4 1392/4885SLC6A2 1915/4885SLC6A3 2279/4885
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ SLC6A4 2885/4885SLC6A2 2729/4885SLC6A3 3624/4885

“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.