SCHEMBL5655879

SCHEMBL5655879

O=C(CN1CCC(C(=O)O)CC1)c1ccc2c(c1)OCCO2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.74
ALDH1A1 P00352 4/20 0.74
KDM4E B2RXH2 3/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
NPC1 O15118 1/20 0.74
RAB9A P51151 1/20 0.74
MAOB P27338 2/20 0.59
HPGD P15428 1/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
HTT P42858 3/20 0.56
GAA P10253 3/20 0.55
BCHE P06276 2/20 0.55
ACHE P22303 2/20 0.55
MAPT P10636 2/20 0.55
TAAR1 Q96RJ0 1/20 0.55
POLB P06746 1/20 0.54
PKM P14618 1/20 0.53
TSHR P16473 1/20 0.53
TP53 P04637 1/20 0.53

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
SCHEMBL5511451 0.80 ALDH1A1 (0.60) LMNAALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL10729224 0.79 ALDH1A1 (0.67) LMNAALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL6669764 0.78 ALDH1A1 (0.50) LMNAALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL5659998 0.78 ALDH1A1 (0.59) LMNAALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL5657151 0.77 SLC6A4 (0.50) LMNAALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL10729848 0.77 ALDH1A1 (0.67) LMNAALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL14189783 0.76 ALDH1A1 (0.59) LMNAALDH1A1KDM4EKMT2AMEN1
SCHEMBL29280885 0.75 HTR2A (0.62) LMNAALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL5659963 0.75 AOC3 (0.46) LMNAALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL5659968 0.75 AOC3 (0.46) LMNAALDH1A1KDM4ESMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LMNA 2765/4885ALDH1A1 3130/4885KDM4E 4040/4885

“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.