SCHEMBL5254666

SCHEMBL5254666

COc1ccc2nccc([C@@H](O)CN3CCC(NC(Cc4ccccc4)C4=COCO4)CC3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.57
SLC2A1 P11166 8/20 0.54
MCHR1 Q99705 1/20 0.42

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
SCHEMBL5651599 0.89 KCNH2 (0.46) KCNH2SLC2A1
SCHEMBL5252777 0.85 SLC2A1 (0.58) KCNH2SLC2A1MCHR1
SCHEMBL5252749 0.85 KCNH2 (0.39) KCNH2SLC2A1
SCHEMBL5648717 0.83 KCNH2 (0.47) KCNH2SLC2A1
SCHEMBL4269624 0.83 KCNH2 (0.54) KCNH2SLC2A1
SCHEMBL5253950 0.83 KCNH2 (0.52) KCNH2SLC2A1MCHR1
SCHEMBL5649376 0.81 KCNH2 (0.38) KCNH2SLC2A1MCHR1
SCHEMBL5727471 0.78 SLC2A1 (0.69) KCNH2SLC2A1
SCHEMBL16566559 0.76 ALDH1A1 (0.37) KCNH2
SCHEMBL5725849 0.76 KCNH2 (0.64) KCNH2SLC2A1

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
EP-1359908-B1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2007-08-22 EP claimed
US-7205408-B2 Quinolines and nitrogenated derivative thereof substituted in 4-position by a piperidine-containing moiety and their use as antibacterial agents SMITHKLINE BEECHAM, P.L.C. (GB) 2007-04-17 US claimed
US-20040138219-A1 Quinolines and nitrogenated derivative therof substituted in 4-position by a piperidine-containing moiety and their use as antibacterial agents SMITHKLINE BEECHAM P.L.C. (GB) 2004-07-15 US claimed
EP-1359908-A1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-11-12 EP claimed
WO-2002056882-A1 QUINOLINES AND NITROGENATED DERIVAIVE THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-25 WO claimed
EP-1359908-B1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2007-08-22 EP disclosed
US-7205408-B2 Quinolines and nitrogenated derivative thereof substituted in 4-position by a piperidine-containing moiety and their use as antibacterial agents SMITHKLINE BEECHAM, P.L.C. (GB) 2007-04-17 US disclosed
US-20040138219-A1 Quinolines and nitrogenated derivative therof substituted in 4-position by a piperidine-containing moiety and their use as antibacterial agents SMITHKLINE BEECHAM P.L.C. (GB) 2004-07-15 US disclosed
EP-1359908-A1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-11-12 EP disclosed
WO-2002056882-A1 QUINOLINES AND NITROGENATED DERIVAIVE THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-25 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 (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-20040138219-A1 Quinolines and nitrogenated derivative therof substituted in 4-position by a piperidine-containing moiety and their use as antibacterial agents NCF1, TEAD1, TYMS KCNH2 3095/4885SLC2A1 3303/4885MCHR1 4243/4885

“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.