SCHEMBL3920476

SCHEMBL3920476

CCC(C(=O)O)N1C(=O)C(Cc2ccccc2)NC12CCN(S(=O)(=O)c1cc(OC)ccc1OC)CC2

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPK1 P28482 1/20 0.49
KMT2A Q03164 4/20 0.47
POLB P06746 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.46
CCR3 P51677 1/20 0.46
CCR5 P51681 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.45
TACR1 P25103 1/20 0.44

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
SCHEMBL3917062 0.90 CHRM5 (0.46) ALDH1A1CYP3A4CYP2D6KMT2AUSP2
SCHEMBL3916032 0.85 CYP2D6 (0.42) ALDH1A1CYP2D6SMN1; SMN2KMT2AUSP2
SCHEMBL4037894 0.85 ALDH1A1 (0.54) ALDH1A1CYP3A4CYP2D6SMN1; SMN2MAPK1
SCHEMBL3925468 0.85 MMP2 (0.37) ALDH1A1SMN1; SMN2KMT2AUSP2LMNA
SCHEMBL3919279 0.83 L3MBTL1 (0.44) ALDH1A1MAPK1KMT2APOLBLMNA
SCHEMBL3925389 0.82 ACLY (0.35) ALDH1A1SMN1; SMN2KMT2AUSP2HTT
SCHEMBL3917715 0.82 RAB9A (0.44) ALDH1A1SMN1; SMN2KMT2APOLBLMNA
SCHEMBL3916082 0.81 EPHX2 (0.46) ALDH1A1CYP3A4CYP2D6MAPK1KMT2A
SCHEMBL3916725 0.81 KMT2A (0.40) ALDH1A1SMN1; SMN2KMT2AUSP2LMNA
SCHEMBL1803052 0.81 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2KMT2ALMNAL3MBTL1

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 ALDH1A1 199/4885CYP3A4 12/4885CYP2D6 56/4885

“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.