SCHEMBL3915181

SCHEMBL3915181

COc1ccc(S(=O)(=O)N2CCC3(CC2)NC(Cc2ccccc2)C(=O)N3Cc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 1/20 0.48
HSD11B1 P28845 1/20 0.46
MAPK1 P28482 2/20 0.46
TSHR P16473 2/20 0.46
NR3C1 P04150 1/20 0.45
PKM P14618 3/20 0.45
POLB P06746 2/20 0.44
NPC1 O15118 1/20 0.44
PKLR P30613 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CCR6 P51684 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CHRM5 P08912 1/20 0.44
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL3917724 0.90 CYP2D6 (0.51) ALDH1A1KDM4EMAPK1TSHRPOLB
SCHEMBL4035567 0.90 LMNA (0.48) LMNAALDH1A1KDM4EHSD11B1TSHR
SCHEMBL3925408 0.89 SMN1; SMN2 (0.48) LMNAALDH1A1TSHRNR3C1PKM
SCHEMBL3915453 0.89 HSD11B1 (0.48) LMNAALDH1A1HSD11B1TSHRSMN1; SMN2
SCHEMBL3919576 0.88 MMP2 (0.51) ALDH1A1HSD11B1TSHRNR3C1POLB
SCHEMBL3918411 0.88 MEN1 (0.49) LMNAALDH1A1MAPK1TSHRNR3C1
SCHEMBL3918144 0.85 MMP2 (0.53) ALDH1A1KDM4ETSHRNR3C1POLB
SCHEMBL3915497 0.83 CYP2D6 (0.50) ALDH1A1TSHRPOLBSMN1; SMN2MEN1
SCHEMBL3925412 0.83 ALDH1A1 (0.46) LMNAALDH1A1KDM4ETSHRPOLB
SCHEMBL3917062 0.82 CHRM5 (0.46) LMNAALDH1A1KDM4EHSD11B1NR3C1

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 6 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
EP-1730144-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5 DECAN-2-ONE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-06-10 EP 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 LMNA 1640/4885ALDH1A1 199/4885KDM4E 2581/4885

“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.