SCHEMBL3917088

SCHEMBL3917088

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 13/20 0.39
TSHR P16473 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
TACR1 P25103 2/20 0.35
DPP4 P27487 1/20 0.35
BRD4 O60885 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 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
SCHEMBL3922909 0.92 CCR5 (0.39) CCR5TSHRTACR1DPP4OPRM1
SCHEMBL1796739 0.89 CYP2D6 (0.40) CCR5TSHR
SCHEMBL4041157 0.88 CCR5 (0.38) CCR5SLC6A2SLC6A4DPP4BRD4
SCHEMBL4035595 0.88 CCR5 (0.38) CCR5TSHRSLC6A2SLC6A4TACR1
SCHEMBL4038035 0.86 CCR5 (0.36) CCR5TSHRSLC6A2SLC6A4TACR1
SCHEMBL3916341 0.86 POLB (0.40) CCR5DPP4
SCHEMBL3916351 0.85 GAA (0.34) CCR5TSHRDPP4BRD4OPRM1
SCHEMBL1799349 0.84 MAPT (0.41) CCR5DPP4
SCHEMBL3916811 0.82 HRH3 (0.44) CCR5DPP4
SCHEMBL4036456 0.81 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 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 CCR5 2852/4885TSHR 1408/4885SLC6A2 3106/4885

“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.