SCHEMBL5755495

SCHEMBL5755495

COc1ccc2nccc([C@@H](O)CN3CCN(CC4CN(c5cc(F)cc(F)c5)C(=O)O4)CC3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 8/20 0.48
KCNH2 Q12809 3/20 0.47
SIGMAR1 Q99720 5/20 0.46

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
SCHEMBL5755499 1.00 SLC2A1 (0.48) SLC2A1KCNH2SIGMAR1
SCHEMBL5755501 1.00 SLC2A1 (0.48) SLC2A1KCNH2SIGMAR1
SCHEMBL5758524 0.96 SLC2A1 (0.47) SLC2A1KCNH2SIGMAR1
SCHEMBL5758527 0.96 SLC2A1 (0.47) SLC2A1KCNH2SIGMAR1
SCHEMBL5758163 0.93 SLC2A1 (0.48) SLC2A1KCNH2SIGMAR1
SCHEMBL5756002 0.93 SLC2A1 (0.48) SLC2A1KCNH2SIGMAR1
SCHEMBL5758157 0.93 SLC2A1 (0.48) SLC2A1KCNH2SIGMAR1
SCHEMBL6982544 0.93 SLC2A1 (0.44) SLC2A1KCNH2SIGMAR1
SCHEMBL5756486 0.90 SLC2A1 (0.47) SLC2A1KCNH2SIGMAR1
SCHEMBL5756495 0.90 SLC2A1 (0.47) SLC2A1KCNH2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343765-B1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERAZINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2006-11-22 EP claimed
US-20040077656-A1 Quinolines and nitrogenated derivatives thereof substituted in 4-position by a piperazine-containing moiety and their use as antibacterial agents SMITHKLINE BEECHAM P.L.C. (GB) 2004-04-22 US claimed
US-9505750-B2 5-aminocyclylmethyl-oxazolidin-2-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-29 US disclosed
US-9505750-B2 5-aminocyclylmethyl-oxazolidin-2-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-29 US disclosed
US-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2011-01-06 US disclosed
US-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2011-01-06 US disclosed
WO-2009077989-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO disclosed
EP-1343765-B1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERAZINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2006-11-22 EP disclosed
US-20040077656-A1 Quinolines and nitrogenated derivatives thereof substituted in 4-position by a piperazine-containing moiety and their use as antibacterial agents SMITHKLINE BEECHAM P.L.C. (GB) 2004-04-22 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 (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-20040077656-A1 Quinolines and nitrogenated derivatives thereof substituted in 4-position by a piperazine-containing moiety and their use as antibacterial agents NQO2, ASNS, QARS1 SLC2A1 3955/4885KCNH2 1467/4885SIGMAR1 323/4885
US-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES CNKSR1, KCNH1, CBR3 SLC2A1 4213/4885KCNH2 31/4885SIGMAR1 28/4885

“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.