SCHEMBL5754347

SCHEMBL5754347

COc1ccc2nccc([C@H](N)CN3CCN(CCCCc4ccccc4)CC3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.51
HTR1A P08908 1/20 0.48
SIGMAR1 Q99720 2/20 0.48
KCNH2 Q12809 2/20 0.48
SLC2A1 P11166 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL5757405 0.90 SLC2A1 (0.59) CCR8HTR1ASIGMAR1KCNH2SLC2A1
SCHEMBL6985890 0.84 CCR8 (0.49) CCR8HTR1ASIGMAR1KCNH2SLC2A1
SCHEMBL5754351 0.80 SIGMAR1 (0.47) HTR1ASIGMAR1
SCHEMBL6485496 0.78 SLC2A1 (0.53) KCNH2SLC2A1
SCHEMBL6485488 0.78 SLC2A1 (0.53) KCNH2SLC2A1
SCHEMBL6485492 0.78 SLC2A1 (0.53) KCNH2SLC2A1
SCHEMBL6866210 0.76 SLC2A1 (0.53) CCR8KCNH2SLC2A1KDM4EALDH1A1
SCHEMBL6498397 0.76 SLC2A1 (0.60) CCR8KCNH2SLC2A1KDM4EALDH1A1
SCHEMBL6645387 0.76 SLC2A1 (0.60) CCR8KCNH2SLC2A1KDM4EALDH1A1
SCHEMBL6498402 0.76 SLC2A1 (0.60) CCR8KCNH2SLC2A1KDM4EALDH1A1

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 6 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
EP-1343765-A1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERAZINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-09-17 EP claimed
WO-2002050040-A1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERAZINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2002-06-27 WO claimed
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 (1 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 CCR8 3980/4885HTR1A 2106/4885SIGMAR1 323/4885

“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.