SCHEMBL4560028

SCHEMBL4560028

O=C(NCCCN1CCOCC1)N1CCC1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.60
LMNA P02545 2/20 0.59
KDM4E B2RXH2 2/20 0.59
HPGD P15428 1/20 0.58
DUSP3 P51452 1/20 0.58
HTT P42858 2/20 0.58
ALDH1A1 P00352 3/20 0.56
MAPK1 P28482 1/20 0.56
HIF1A Q16665 1/20 0.56
EPHX1 P07099 1/20 0.56
PKM P14618 1/20 0.56
RAB9A P51151 1/20 0.55
BCHE P06276 1/20 0.52
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL4559188 0.90 HTT (0.53) HTTALDH1A1BCHETSHR
SCHEMBL19884755 0.84 HTT (0.55) GAALMNAKDM4EHPGDDUSP3
SCHEMBL3459488 0.83 HTT (0.57) GAALMNAKDM4EHPGDDUSP3
SCHEMBL2347336 0.81 GAA (0.70) GAALMNAKDM4EHPGDDUSP3
SCHEMBL13655375 0.81 LMNA (0.84) GAALMNAKDM4EHPGDDUSP3
SCHEMBL17471147 0.81 LMNA (0.52) GAALMNAKDM4EHPGDDUSP3
SCHEMBL76649 0.80 GAA (0.68) GAALMNAKDM4EHPGDDUSP3
SCHEMBL11742767 0.78 LMNA (0.69) GAALMNAKDM4EHPGDDUSP3
Hydrochloric Acid SCHEMBL5658003 0.78 GAA (0.66) GAALMNAKDM4EHPGDDUSP3
SCHEMBL8762651 0.78 GAA (0.66) GAALMNAKDM4EHPGDDUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US 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-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B GAA 335/4885LMNA 1062/4885KDM4E 2692/4885

“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.