SCHEMBL5774577

SCHEMBL5774577

COc1ccc2nccc([C@@H](O)CN3CCN(CCc4nc5c(F)cccc5[nH]4)CC3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 9/20 0.49
L3MBTL1 Q9Y468 1/20 0.45
KCNH2 Q12809 3/20 0.44
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL4268459 0.86 SLC2A1 (0.64) SLC2A1KCNH2
SCHEMBL5771529 0.86 SLC2A1 (0.49) SLC2A1L3MBTL1KCNH2LMNAGAA
SCHEMBL5799819 0.86 SLC2A1 (0.49) SLC2A1L3MBTL1KCNH2LMNAGAA
SCHEMBL5776914 0.85 MEN1 (0.40) SLC2A1L3MBTL1KCNH2LMNAHTT
SCHEMBL5754730 0.78 SLC2A1 (0.56) SLC2A1KCNH2
SCHEMBL4270115 0.77 SLC2A1 (0.64) SLC2A1KCNH2
SCHEMBL4269328 0.77 SLC2A1 (0.66) SLC2A1KCNH2
SCHEMBL5773715 0.76 SLC2A1 (0.39) SLC2A1L3MBTL1KCNH2
SCHEMBL5757405 0.75 SLC2A1 (0.59) SLC2A1KCNH2
SCHEMBL6485492 0.74 SLC2A1 (0.53) SLC2A1KCNH2LMNAGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343780-B1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 2006-09-20 EP claimed
US-20040077655-A1 Piperazine derivatives for treatment of bacterial infections SMITHKLINE BEECHAM P.L.C. (GB) 2004-04-22 US claimed
EP-1343780-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 2003-09-17 EP claimed
WO-2002050061-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-27 WO claimed
EP-1343780-B1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 2006-09-20 EP 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-20040077655-A1 Piperazine derivatives for treatment of bacterial infections MYD88, THPO, PIGO SLC2A1 2617/4885L3MBTL1 566/4885KCNH2 2919/4885

“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.