SCHEMBL3914895

SCHEMBL3914895

CSCCC1NC2(CCN(C(O)=S)CC2)N(Cc2cccc(C#N)c2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.40
DRD4 P21917 3/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
FAAH O00519 1/20 0.36
F10 P00742 1/20 0.34
OPRM1 P35372 2/20 0.34
CHRM4 P08173 2/20 0.34
KCNH2 Q12809 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
OPRL1 P41146 1/20 0.34
TACR1 P25103 1/20 0.34
ROCK2 O75116 1/20 0.34
CCR3 P51677 1/20 0.33
MLNR O43193 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD3 P35462 2/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL3925657 0.92 CHRM3 (0.40) CHRM3DRD4GAAKMT2AFAAH
SCHEMBL4038037 0.90 CHRM3 (0.37) CHRM3DRD4GAAKMT2AFAAH
SCHEMBL3916929 0.88 CHRM3 (0.36) CHRM3DRD4GAAKMT2AFAAH
SCHEMBL1800614 0.88 RORC (0.40) CHRM3DRD4FAAHF10CHRM4
SCHEMBL3925963 0.87 GAA (0.47) GAAKMT2A
SCHEMBL4040064 0.87 CHRM3 (0.39) CHRM3DRD4GAAKMT2AFAAH
SCHEMBL1799605 0.87 MAPK1 (0.46) CHRM3FAAHROCK2MLNR
SCHEMBL3925615 0.87 KDM4E (0.37) CHRM3DRD4GAAKMT2AFAAH
SCHEMBL4037652 0.87 CHRM3 (0.41) CHRM3DRD4GAAKMT2AFAAH
SCHEMBL3925417 0.86 MEN1 (0.41) CHRM3KMT2ACHRM4

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 5 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
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 CHRM3 4307/4885DRD4 1077/4885GAA 79/4885

“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.