SCHEMBL3918968

SCHEMBL3918968

CSCCC1NC2(CCN(C(=O)O)CC2)N(Cc2ccccc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
CCR5 P51681 5/20 0.39
CACNA1G O43497 1/20 0.38
CYP2D6 P10635 4/20 0.37
RIPK1 Q13546 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM3 P20309 1/20 0.34
OPRM1 P35372 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CXCR3 P49682 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
SCHEMBL3927067 0.91 GAA (0.37) GAAKMT2ACCR5HTTSIGMAR1
SCHEMBL3925963 0.91 GAA (0.47) GAAKMT2ACCR5CACNA1GCYP2D6
SCHEMBL3994486 0.90 MCHR1 (0.37) GAAKMT2ACYP2D6SIGMAR1
SCHEMBL1799344 0.88 GAA (0.41) GAAKMT2ACCR5CACNA1GCYP2D6
SCHEMBL2935909 0.88 GAA (0.41) GAAKMT2ACCR5CACNA1GCYP2D6
SCHEMBL4037470 0.88 GAA (0.44) GAAKMT2ACCR5CACNA1GMAPT
SCHEMBL1800888 0.88 OPRD1 (0.44) GAAKMT2ACCR5KDM4E
SCHEMBL3919263 0.88 OPRD1 (0.44) GAAKMT2ACCR5KDM4E
Hydrochloric Acid SCHEMBL1802741 0.88 GAA (0.41) GAAKMT2ACCR5CACNA1GCYP2D6
Hydrochloric Acid SCHEMBL1800382 0.88 GAA (0.41) GAAKMT2ACCR5CACNA1GCYP2D6

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 GAA 79/4885KMT2A 4051/4885CCR5 2852/4885

“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.