SCHEMBL5656451

SCHEMBL5656451

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
POLB P06746 1/20 0.53
TSHR P16473 1/20 0.53
ALOX15 P16050 1/20 0.47
ALDH1A1 P00352 7/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC40A1 Q9NP59 3/20 0.44
HSD17B10 Q99714 3/20 0.43
LTA4H P09960 1/20 0.43
HPGD P15428 2/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
KLK7 P49862 1/20 0.43

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
SCHEMBL5657093 0.86 CHRNA7 (0.47) SLC40A1LTA4H
SCHEMBL5775830 0.77 SLC40A1 (0.47) KDM4ETSHRALDH1A1TDP1SLC40A1
SCHEMBL5773822 0.75 HTR6 (0.45) KDM4ESMN1; SMN2ALDH1A1SLC40A1HSD17B10
SCHEMBL14573148 0.74 KCNH2 (0.47) SLC40A1
SCHEMBL6661601 0.74 KCNH2 (0.45) SLC40A1
SCHEMBL5773886 0.73 SLC40A1 (0.43) KDM4EPOLBALOX15ALDH1A1TDP1
SCHEMBL4232561 0.72 HTR2A (0.64) KDM4ESMN1; SMN2ALDH1A1TDP1LTA4H
SCHEMBL1414283 0.71 ALDH1A1 (0.67) KDM4EPOLBALDH1A1KMT2AMEN1
SCHEMBL14804205 0.71 KDM4E (0.64) KDM4ESMN1; SMN2POLBTSHRALDH1A1
SCHEMBL27541561 0.71 HTR2A (0.63) KDM4ESMN1; SMN2ALDH1A1TDP1LTA4H

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 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 KDM4E 4040/4885SMN1; SMN2 1149/4885POLB 468/4885

“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.