SCHEMBL3925435

SCHEMBL3925435

CCCCN1C(=O)C(CCSC)NC12CCN(C(=S)NCC1CCCCC1)CC2

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.37
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
EPHX1 P07099 1/20 0.32
EPHX2 P34913 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
SCHEMBL4042766 0.83 CCR5 (0.35) CCR5CYP3A4CYP2C9EPHX1EPHX2
SCHEMBL3920466 0.82 POLB (0.42) CCR5
SCHEMBL1801496 0.82 CCR5 (0.38) CCR5CYP3A4CYP2C9
SCHEMBL3914971 0.79 CCR5 (0.35) CCR5CYP3A4CYP2C9
SCHEMBL4039483 0.75 CCR5 (0.34) CCR5CYP3A4CYP2C9
SCHEMBL4038217 0.74 CCR5 (0.32) CCR5
SCHEMBL3915084 0.73 CCR5 (0.32) CCR5
SCHEMBL1803130 0.72 HTT (0.42)
SCHEMBL4032819 0.72 POLB (0.34)
SCHEMBL4042277 0.72 CCR5 (0.33) CCR5CYP3A4CYP2C9

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 2852/4885CYP3A4 12/4885CYP2C9 41/4885

“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.