SCHEMBL3916082

SCHEMBL3916082

CCC(C(=O)O)N1C(=O)C(Cc2ccccc2)NC12CCN(S(=O)(=O)c1c(C)cc(C)cc1C)CC2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.46
EBP Q15125 1/20 0.44
DHCR7 Q9UBM7 1/20 0.44
CCR5 P51681 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3916032 0.88 CYP2D6 (0.42) KMT2AMEN1ALDH1A1CYP2D6
SCHEMBL3925382 0.87 ALDH1A1 (0.51) EPHX2KMT2AMEN1ALDH1A1CYP2D6
SCHEMBL3925389 0.86 ACLY (0.35) KMT2AMEN1ALDH1A1KDM4E
SCHEMBL3925468 0.86 MMP2 (0.37) KMT2AMEN1ALDH1A1KDM4EL3MBTL1
SCHEMBL4038204 0.84 EPHX2 (0.47) EPHX2EBPDHCR7CCR5KMT2A
SCHEMBL3916725 0.83 KMT2A (0.40) KMT2AMEN1ALDH1A1
SCHEMBL3918973 0.83 L3MBTL1 (0.46) EPHX2KMT2AMEN1ALDH1A1CYP3A4
SCHEMBL3918975 0.83 L3MBTL1 (0.46) EPHX2KMT2AMEN1ALDH1A1CYP3A4
SCHEMBL3917715 0.83 RAB9A (0.44) EPHX2KMT2AMEN1ALDH1A1
SCHEMBL3917062 0.83 CHRM5 (0.46) KMT2AMEN1ALDH1A1KDM4ECYP3A4

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 4 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
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 EPHX2 4355/4885EBP 919/4885DHCR7 135/4885

“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.