SCHEMBL3917588

SCHEMBL3917588

CN1C(=O)C(Cc2ccccc2)NC12CCN(C(O)=S)CC2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.39
PLA2G5 P39877 2/20 0.39
CXCR3 P49682 1/20 0.37
GAA P10253 3/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
HDAC8 Q9BY41 2/20 0.36
ALDH1A1 P00352 3/20 0.36
MGLL Q99685 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34

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
SCHEMBL3918198 0.85 GAA (0.41) CXCR3GAAPOLBCYP1A2CYP3A4
SCHEMBL10326656 0.83 PLA2G10 (0.45) PLA2G10PLA2G5CXCR3GAAPOLB
SCHEMBL10326470 0.83 PLA2G10 (0.45) PLA2G10PLA2G5CXCR3GAAPOLB
SCHEMBL10327298 0.83 PLA2G10 (0.45) PLA2G10PLA2G5CXCR3GAAPOLB
SCHEMBL1801279 0.83 ALDH1A1 (0.39) PLA2G10PLA2G5GAAALDH1A1KMT2A
SCHEMBL3927372 0.82 MEN1 (0.46) CXCR3GAAPOLBALDH1A1KMT2A
SCHEMBL1802463 0.82 MEN1 (0.50) GAAPOLBALDH1A1KMT2AMEN1
SCHEMBL1803072 0.82 GRM5 (0.48) ALDH1A1
SCHEMBL4041207 0.81 PLA2G10 (0.38) PLA2G10PLA2G5CXCR3GAAPOLB
SCHEMBL1801936 0.81 FAAH (0.41) PLA2G10PLA2G5GAAALDH1A1MGLL

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-7560468-B2 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2009-07-14 US claimed
EP-1730144-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5 DECAN-2-ONE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-06-10 EP claimed
US-20070015783-A1 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US claimed
US-7560468-B2 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2009-07-14 US disclosed
US-20070015783-A1 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 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-20070015783-A1 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds THPO, UGT1A8, UGT1A4 PLA2G10 3731/4885PLA2G5 3613/4885CXCR3 4672/4885

“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.