SCHEMBL3927342

SCHEMBL3927342

CC(C)C1NC2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)N(Cc2cccc(C#N)c2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
NR3C1 P04150 3/20 0.39
PARG Q86W56 2/20 0.37
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 2/20 0.36
HSP90AA1 P07900 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
POLB P06746 1/20 0.35
MMP2 P08253 1/20 0.35
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
HPGD P15428 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
SCHEMBL3925424 0.90 ALDH1A1 (0.37) NR3C1PARGALDH1A1KMT2ASMN1; SMN2
SCHEMBL3914994 0.83 CHRM3 (0.37) KCNH2PARGALDH1A1MAPT
SCHEMBL1798375 0.82 KCNJ1 (0.37) KCNJ1KCNH2ALDH1A1KMT2ALMNA
SCHEMBL3925949 0.81 MMP13 (0.36) KCNH2PARGALDH1A1CYP3A4MAPT
SCHEMBL3925486 0.79 POLB (0.38) PARGALDH1A1LMNAPOLB
SCHEMBL3925953 0.78 PKM (0.43) PARGUSP2CYP3A4HIF1APOLB
SCHEMBL1800459 0.75 MAPK1 (0.49) ALDH1A1USP2CYP3A4MAPK1HIF1A
SCHEMBL1800639 0.74 P2RX7 (0.40) KMT2AUSP2CYP3A4
SCHEMBL3918144 0.74 MMP2 (0.53) NR3C1ALDH1A1KMT2AHSP90AA1KDM4E
SCHEMBL5151460 0.74 CHRM3 (0.39) KCNH2HTTRECQL

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 8 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
EP-1730144-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5|DECAN-2-ONE COMPOUNDS Grünenthal GmbH (DE) 2006-12-13 EP disclosed
WO-2005095398-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ONE COMPOUNDS Grünenthal GmbH (DE) 2005-10-13 WO 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 KCNJ1 3139/4885KCNH2 3393/4885NR3C1 2294/4885

“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.