SCHEMBL5659991

SCHEMBL5659991

COc1ccc2nccc(OCC3CCN(C[C@H](O)c4ccc5c(c4)NC(=O)CS5)CC3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.43
KCNH2 Q12809 2/20 0.41
PDE4B Q07343 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
SCHEMBL14573158 1.00 SLC2A1 (0.43) SLC2A1KCNH2PDE4B
SCHEMBL5765149 1.00 SLC2A1 (0.43) SLC2A1KCNH2PDE4B
Hydrochloric Acid SCHEMBL5655525 0.99 SLC2A1 (0.42) SLC2A1KCNH2PDE4B
Hydrochloric Acid SCHEMBL6767257 0.86 SLC2A1 (0.43) SLC2A1KCNH2
SCHEMBL5656474 0.85 HTR1A (0.47) KCNH2PDE4B
SCHEMBL14573154 0.84 KCNH2 (0.43) SLC2A1KCNH2
SCHEMBL5656359 0.84 KCNH2 (0.44) KCNH2
SCHEMBL5767030 0.83 SLC2A1 (0.43) SLC2A1KCNH2
SCHEMBL5749762 0.82 KCNH2 (0.38) SLC2A1KCNH2
SCHEMBL5253520 0.78 SLC2A1 (0.59) SLC2A1KCNH2

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
US-7186730-B2 Bicyclic nitrogen-containing heterocyclic derivatives for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2007-03-06 US claimed
EP-1392686-B1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2006-10-18 EP claimed
US-20040198755-A1 Bicyclic nitrogen-containing heterocyclic derivatives for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-10-07 US claimed
EP-1392686-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-03-03 EP claimed
WO-2002096907-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2002-12-05 WO claimed

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-20040198755-A1 Bicyclic nitrogen-containing heterocyclic derivatives for use as antibacterials NRDC, NUCB2, ASNS SLC2A1 3844/4885KCNH2 3267/4885PDE4B 2277/4885

“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.