SCHEMBL3927072

SCHEMBL3927072

CCC(C(=O)O)N1C(=O)C(CCSC)NC12CCN(S(=O)(=O)c1ccccc1Cl)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.41
CCR1 P32246 6/20 0.37
FAAH O00519 3/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL4039393 0.83 ATAD2 (0.42) ATAD2CCR1FAAHHDAC3HDAC4
SCHEMBL3925429 0.79 CYP1A2 (0.41) FAAHNPSR1GAAALDH1A1KDM4E
SCHEMBL3925468 0.78 MMP2 (0.37) GAAHTTALDH1A1KDM4EMEN1
SCHEMBL1803756 0.78 TPSAB1 (0.31) MEN1KMT2A
SCHEMBL1798561 0.78 CCR5 (0.35) MAPK1HTTALDH1A1MEN1KMT2A
SCHEMBL1800700 0.77 CYP3A4 (0.37) NPSR1GAAMAPK1ALDH1A1KDM4E
SCHEMBL3916032 0.77 CYP2D6 (0.42) GAAHTTALDH1A1MAPTCYP2D6
SCHEMBL1804472 0.76 PROKR1 (0.35) MEN1KMT2A
SCHEMBL1798634 0.76 GAA (0.38) GAAHTTALDH1A1CYP2D6CYP2C9
SCHEMBL1799557 0.76 HPGD (0.39) HTTALDH1A1MEN1KMT2A

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 4 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
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 ATAD2 3376/4885CCR1 2028/4885FAAH 3325/4885

“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.