SCHEMBL3567608

SCHEMBL3567608

O=C(CN1C(=O)C(c2ccc(Cl)cc2)=NC12CCCCC2)c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.60
TP53 P04637 4/20 0.55
GAA P10253 2/20 0.54
ALDH1A1 P00352 3/20 0.54
HTT P42858 1/20 0.54
GCGR P47871 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL13499821 0.94 MAPT (0.58) MAPTTP53GAAALDH1A1HTT
SCHEMBL3569032 0.94 MAPT (0.57) MAPTTP53GAAALDH1A1HTT
SCHEMBL3578482 0.92 MAPT (0.68) MAPTTP53GAAALDH1A1HTT
SCHEMBL3571305 0.92 MAPT (0.53) MAPTTP53GAAALDH1A1HTT
SCHEMBL3575668 0.92 MAPT (0.68) MAPTTP53GAAALDH1A1HTT
SCHEMBL3565975 0.92 MAPT (0.53) MAPTTP53GAAALDH1A1HTT
SCHEMBL3572709 0.90 MAPT (0.58) MAPTTP53GAAALDH1A1HTT
SCHEMBL3572713 0.89 MAPT (0.59) MAPTTP53GAAALDH1A1HTT
SCHEMBL3570821 0.89 MAPT (0.57) MAPTTP53GAAALDH1A1HTT
SCHEMBL3579323 0.89 MAPT (0.54) MAPTTP53GAAALDH1A1HTT

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-20100029700-A1 1-(2-ARYL-2-OXOETHYL)-3-PHENYL-1, 4-DIAZASPIRO [4.5]DEC-3-EN-2-ONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2010-02-04 US claimed
EP-2027098-A1 1-(2-ARYL-2-OXOETHYL)-3-PHENYL-1, 4-DIAZASPIRO (4.5)DEC-3-EN-2-ONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS Glaxo Group Limited (GB) 2009-02-25 EP claimed
WO-2007116061-A1 1-(2-ARYL-2-OXOETHYL)-3-PHENYL-1, 4-DIAZASPIRO [4.5]DEC-3-EN-2-ONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2007-10-18 WO claimed
US-20100029700-A1 1-(2-ARYL-2-OXOETHYL)-3-PHENYL-1, 4-DIAZASPIRO [4.5]DEC-3-EN-2-ONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2010-02-04 US disclosed
US-20100029700-A1 1-(2-ARYL-2-OXOETHYL)-3-PHENYL-1, 4-DIAZASPIRO [4.5]DEC-3-EN-2-ONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2010-02-04 US disclosed
US-20100029700-A1 1-(2-ARYL-2-OXOETHYL)-3-PHENYL-1, 4-DIAZASPIRO [4.5]DEC-3-EN-2-ONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2010-02-04 US disclosed
EP-2027098-A1 1-(2-ARYL-2-OXOETHYL)-3-PHENYL-1, 4-DIAZASPIRO (4.5)DEC-3-EN-2-ONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS Glaxo Group Limited (GB) 2009-02-25 EP disclosed
WO-2007116061-A1 1-(2-ARYL-2-OXOETHYL)-3-PHENYL-1, 4-DIAZASPIRO [4.5]DEC-3-EN-2-ONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2007-10-18 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-20100029700-A1 1-(2-ARYL-2-OXOETHYL)-3-PHENYL-1, 4-DIAZASPIRO [4.5]DEC-3-EN-2-ONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS SLC1A1, SLC1A5, SLC6A5 MAPT 4445/4885TP53 4082/4885GAA 1538/4885

“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.