SCHEMBL12467345

SCHEMBL12467345

CCC(=O)C1CCN(c2ccccc2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.48
PTPN1 P18031 1/20 0.47
ROCK2 O75116 3/20 0.46
ROCK1 Q13464 2/20 0.46
HSD11B1 P28845 1/20 0.45
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC1 Q13547 1/20 0.43
FPR1 P21462 1/20 0.42
FPR2 P25090 1/20 0.42
DDB1 Q16531 2/20 0.42
CRBN Q96SW2 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL14943747 0.83 USP30 (0.51) USP30PTPN1ROCK2ROCK1HSD11B1
SCHEMBL308869 0.82 PTPN1 (0.59) USP30PTPN1ROCK2ROCK1HSD11B1
SCHEMBL15374432 0.81 MEN1 (0.60) USP30PTPN1MEN1KMT2ANPC1
SCHEMBL13620013 0.81 USP30 (0.54) USP30PTPN1ROCK2ROCK1HSD11B1
SCHEMBL15367247 0.81 MEN1 (0.60) USP30PTPN1MEN1KMT2ANPC1
SCHEMBL5104476 0.80 USP30 (0.51) USP30PTPN1ROCK2ROCK1HSD11B1
SCHEMBL15374430 0.80 USP30 (0.51) USP30PTPN1ROCK2ROCK1HSD11B1
SCHEMBL19997270 0.79 ROCK2 (0.52) ROCK2ROCK1MEN1KMT2ARAB9A
SCHEMBL11312660 0.79 USP30 (0.51) USP30PTPN1ROCK2ROCK1HSD11B1
SCHEMBL12401311 0.79 USP30 (0.48) USP30PTPN1ROCK2ROCK1HSD11B1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926282-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-27 US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity METHYLGENE, INC. (CA) 2008-01-03 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 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 (5 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-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 USP30 2415/4885PTPN1 366/4885ROCK2 136/4885
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 USP30 1019/4885PTPN1 498/4885ROCK2 4503/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 USP30 1019/4885PTPN1 498/4885ROCK2 4503/4885
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity HGF, ERBB2, MET USP30 2983/4885PTPN1 223/4885ROCK2 134/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 USP30 1122/4885PTPN1 1041/4885ROCK2 4272/4885

“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.