SCHEMBL5757539

SCHEMBL5757539

COc1ccc2nccc(C(O)CN3CCN(CCNC(=O)c4cccc(C#N)c4)CC3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 4/20 0.56
DRD4 P21917 11/20 0.51
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
DRD2 P14416 3/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
PMP22 Q01453 1/20 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
SCHEMBL5757533 1.00 SLC2A1 (0.56) SLC2A1DRD4CYP2C9CYP2C19DRD2
SCHEMBL5757529 1.00 SLC2A1 (0.56) SLC2A1DRD4CYP2C9CYP2C19DRD2
SCHEMBL5758574 0.89 SLC2A1 (0.60) SLC2A1DRD4CYP1A2CYP3A4MAPT
SCHEMBL5759487 0.89 SLC2A1 (0.60) SLC2A1DRD4CYP1A2CYP3A4MAPT
SCHEMBL5759496 0.89 SLC2A1 (0.60) SLC2A1DRD4CYP1A2CYP3A4MAPT
SCHEMBL5757000 0.84 SLC2A1 (0.58) SLC2A1DRD4CYP1A2CYP3A4MAPT
SCHEMBL5760228 0.84 SLC2A1 (0.58) SLC2A1DRD4CYP1A2CYP3A4MAPT
SCHEMBL5760232 0.84 SLC2A1 (0.58) SLC2A1DRD4CYP1A2CYP3A4MAPT
SCHEMBL5756826 0.79 SLC2A1 (0.55) SLC2A1DRD4DRD2
SCHEMBL5753735 0.79 SLC2A1 (0.55) SLC2A1DRD4DRD2

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 3 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
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 SLC2A1 3955/4885DRD4 545/4885CYP2C9 1710/4885

“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.