SCHEMBL5659998

SCHEMBL5659998

O=C1COc2ccc(C(=O)CN3CCC(C(=O)O)CC3)cc2N1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
MAPT P10636 3/20 0.59
HTR1D P28221 2/20 0.59
HTR1A P08908 1/20 0.58
HTR1B P28222 1/20 0.58
GAA P10253 2/20 0.53
PKM P14618 3/20 0.51
KDM4E B2RXH2 2/20 0.50
PARP1 P09874 2/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
TRPV1 Q8NER1 1/20 0.48
SMYD3 Q9H7B4 1/20 0.48
USP30 Q70CQ3 1/20 0.48
LMNA P02545 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL532530 0.86 PARP1 (0.68) ALDH1A1MAPTHTR1DHTR1AHTR1B
SCHEMBL2121267 0.85 PARP1 (0.67) ALDH1A1MAPTHTR1DHTR1AHTR1B
SCHEMBL5774571 0.84 ALDH1A1 (0.61) ALDH1A1MAPTHTR1DHTR1AHTR1B
SCHEMBL532439 0.84 ALDH1A1 (0.64) ALDH1A1MAPTHTR1DHTR1AHTR1B
SCHEMBL5658401 0.80 HTR1A (0.58) HTR1DHTR1AHTR1BPARP1
SCHEMBL5655518 0.79 PARP1 (0.48) ALDH1A1MAPTGAAPARP1TRPV1
SCHEMBL5763201 0.79 PARP1 (0.48) ALDH1A1MAPTGAAPARP1TRPV1
SCHEMBL5656772 0.78 HTT (0.57) ALDH1A1MAPTPKMTRPV1LMNA
SCHEMBL5655879 0.78 LMNA (0.74) ALDH1A1MAPTGAAPKMKDM4E
SCHEMBL4724873 0.76 ALDH1A1 (0.73) ALDH1A1MAPTGAAPKMKDM4E

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 10 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
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 ALDH1A1 3130/4885MAPT 4296/4885HTR1D 1537/4885

“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.