SCHEMBL3925949

SCHEMBL3925949

CCCCS(=O)(=O)N1CCC2(CC1)NC(C(C)C)C(=O)N2Cc1cccc(C#N)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.36
MMP14 P50281 2/20 0.36
CHRM3 P20309 1/20 0.36
DRD4 P21917 1/20 0.35
PARG Q86W56 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
TACR1 P25103 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
F10 P00742 1/20 0.33
OPRM1 P35372 3/20 0.32
OPRL1 P41146 2/20 0.32
KCNH2 Q12809 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
GLA P06280 1/20 0.32
ROCK2 O75116 1/20 0.32

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
SCHEMBL3914994 0.85 CHRM3 (0.37) MMP13MMP14CHRM3DRD4PARG
SCHEMBL3925424 0.83 ALDH1A1 (0.37) CHRM3PARGCYP3A4ALDH1A1MAPT
SCHEMBL3927342 0.81 KCNJ1 (0.42) PARGCYP3A4ALDH1A1MAPTKCNH2
SCHEMBL3925486 0.79 POLB (0.38) CHRM3PARGALDH1A1
SCHEMBL1800459 0.77 MAPK1 (0.49) CHRM3CYP3A4ALDH1A1ROCK2
SCHEMBL1799690 0.76 CYP3A4 (0.38) CHRM3DRD4CYP3A4ALDH1A1F10
SCHEMBL1800603 0.76 KDM1A (0.38) CHRM3DRD4CYP3A4ALDH1A1OPRM1
SCHEMBL5151460 0.76 CHRM3 (0.39) CHRM3DRD4OPRM1OPRL1KCNH2
SCHEMBL1798973 0.75 CYP2C19 (0.37) CHRM3DRD4TACR1CYP3A4ALDH1A1
SCHEMBL1801052 0.75 USP2 (0.43) CYP3A4ALDH1A1KCNH2

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 10 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
EP-1730144-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5|DECAN-2-ONE COMPOUNDS Grünenthal GmbH (DE) 2006-12-13 EP claimed
WO-2005095398-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ONE COMPOUNDS Grünenthal GmbH (DE) 2005-10-13 WO 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 MMP13 3451/4885MMP14 3075/4885CHRM3 4307/4885

“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.