SCHEMBL3916032

SCHEMBL3916032

CCC(C(=O)O)N1C(=O)C(Cc2ccccc2)NC12CCN(S(=O)(=O)c1ccccc1)CC2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.42
KMT2A Q03164 6/20 0.41
MEN1 O00255 4/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 5/20 0.41
TSHR P16473 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.40
CHRM5 P08912 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HSD11B1 P28845 1/20 0.38

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
SCHEMBL3916725 0.93 KMT2A (0.40) KMT2AMEN1ALDH1A1GAATSHR
SCHEMBL3925382 0.93 ALDH1A1 (0.51) CYP2D6KMT2AMEN1ALDH1A1GAA
SCHEMBL3917062 0.92 CHRM5 (0.46) CYP2D6KMT2AMEN1ALDH1A1GAA
SCHEMBL3919279 0.90 L3MBTL1 (0.44) KMT2AMEN1ALDH1A1GAATSHR
SCHEMBL3925468 0.90 MMP2 (0.37) KMT2AMEN1ALDH1A1GAATSHR
SCHEMBL3927490 0.89 MEN1 (0.43) KMT2AMEN1ALDH1A1GAATSHR
SCHEMBL3916082 0.88 EPHX2 (0.46) CYP2D6KMT2AMEN1ALDH1A1
SCHEMBL3917715 0.87 RAB9A (0.44) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL3925389 0.87 ACLY (0.35) KMT2AMEN1ALDH1A1GAATSHR
SCHEMBL3917728 0.86 SMN1; SMN2 (0.39) CYP2D6KMT2AGAAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP2D6 56/4885KMT2A 4051/4885MEN1 1493/4885

“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.