SCHEMBL3922909

SCHEMBL3922909

CC(C)CC1NC2(CCN(C(O)=S)CC2)N(Cc2ccccc2C#N)C1=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 13/20 0.39
TACR1 P25103 2/20 0.35
DPP4 P27487 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
PAX8 Q06710 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
CHRM1 P11229 1/20 0.33
TSHR P16473 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
SCHEMBL3917088 0.92 CCR5 (0.39) CCR5TACR1DPP4OPRM1OPRL1
SCHEMBL3916341 0.88 POLB (0.40) CCR5DPP4GAA
SCHEMBL1796739 0.86 CYP2D6 (0.40) CCR5TSHR
SCHEMBL4035595 0.86 CCR5 (0.38) CCR5TACR1DPP4OPRM1OPRL1
SCHEMBL4041157 0.86 CCR5 (0.38) CCR5DPP4OPRM1OPRL1
SCHEMBL3925602 0.86 GAA (0.36) CCR5DPP4GAAOPRM1OPRL1
SCHEMBL4038035 0.84 CCR5 (0.36) CCR5TACR1DPP4TSHR
SCHEMBL1799349 0.81 MAPT (0.41) CCR5DPP4
SCHEMBL3916811 0.80 HRH3 (0.44) CCR5DPP4HTT
SCHEMBL4036456 0.79 CCR5 (0.36) CCR5DPP4

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 CCR5 2852/4885TACR1 1905/4885DPP4 17/4885

“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.