SCHEMBL3916341

SCHEMBL3916341

CC(C)CC1NC2(CCN(C(=S)NCc3ccccc3)CC2)N(Cc2ccccc2C#N)C1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
CCR5 P51681 7/20 0.39
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.35
PKM P14618 1/20 0.35
DPP4 P27487 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 0.88 CCR5 (0.39) CCR5GAADPP4
SCHEMBL3917088 0.86 CCR5 (0.39) CCR5DPP4
SCHEMBL4036456 0.84 CCR5 (0.36) CCR5TNKSTNKS2ALDH1A1EGLN3
SCHEMBL3916811 0.82 HRH3 (0.44) CCR5MEN1KMT2ALMNAALDH1A1
SCHEMBL3925919 0.82 KMT2A (0.37) POLBMEN1KMT2ALMNAALDH1A1
SCHEMBL1796739 0.80 CYP2D6 (0.40) CCR5MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4035595 0.80 CCR5 (0.38) CCR5DPP4
SCHEMBL4041157 0.80 CCR5 (0.38) CCR5DPP4
SCHEMBL4038035 0.78 CCR5 (0.36) CCR5DPP4
SCHEMBL4035044 0.77 CCR3 (0.38) CCR5ALDH1A1SMN1; SMN2DPP4

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 POLB 1447/4885CCR5 2852/4885TNKS 331/4885

“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.