SCHEMBL5657093

SCHEMBL5657093

O=C(O)C1CCN(CCc2nc3c(F)cccc3[nH]2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.47
SLC40A1 Q9NP59 6/20 0.47
PARP1 P09874 6/20 0.42
PARP2 Q9UGN5 3/20 0.40
EGLN1 Q9GZT9 1/20 0.39
HTR2A P28223 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
LTA4H P09960 1/20 0.39

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
SCHEMBL5656451 0.86 KDM4E (0.53) SLC40A1LTA4H
SCHEMBL5775830 0.84 SLC40A1 (0.47) CHRNA7SLC40A1PARP1EGLN1DRD2
SCHEMBL6661601 0.82 KCNH2 (0.45) SLC40A1
SCHEMBL5773822 0.80 HTR6 (0.45) CHRNA7SLC40A1DRD4
SCHEMBL14573148 0.75 KCNH2 (0.47) SLC40A1
SCHEMBL5773886 0.74 SLC40A1 (0.43) CHRNA7SLC40A1PARP1
SCHEMBL14573161 0.73 SLC40A1 (0.40) SLC40A1PARP1DRD2
SCHEMBL22639708 0.69 GRIN1 (0.66) CHRNA7DRD2DRD4
SCHEMBL1519356 0.68 HTR2A (0.75) HTR2ALTA4H
SCHEMBL22075724 0.68 SLC40A1 (0.40) SLC40A1EGLN1

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 8 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
US-7186730-B2 Bicyclic nitrogen-containing heterocyclic derivatives for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2007-03-06 US disclosed
EP-1392686-B1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2006-10-18 EP disclosed
US-20040198755-A1 Bicyclic nitrogen-containing heterocyclic derivatives for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-10-07 US disclosed
EP-1392686-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-03-03 EP disclosed
WO-2002096907-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2002-12-05 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-20040198755-A1 Bicyclic nitrogen-containing heterocyclic derivatives for use as antibacterials NRDC, NUCB2, ASNS CHRNA7 4761/4885SLC40A1 1242/4885PARP1 549/4885

“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.