SCHEMBL12995366

SCHEMBL12995366

CCCCCCN1CCN(S(=O)(=O)c2cccs2)[C@H](C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
NPY5R Q15761 5/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
KDM4E B2RXH2 5/20 0.44
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
REV1 Q9UBZ9 1/20 0.44
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
USP2 O75604 2/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CNR2 P34972 2/20 0.42
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL1378788 1.00 MAPT (0.62) MAPTL3MBTL1NPY5RMEN1KMT2A
SCHEMBL12995399 0.91 MAPT (0.61) MAPTL3MBTL1NPY5RMEN1KMT2A
SCHEMBL1381865 0.91 MAPT (0.61) MAPTL3MBTL1NPY5RMEN1KMT2A
SCHEMBL14237355 0.88 MAPT (0.56) MAPTL3MBTL1NPY5RMEN1KMT2A
SCHEMBL12995355 0.87 MAPT (0.63) MAPTL3MBTL1NPY5RMEN1KMT2A
SCHEMBL1378548 0.87 MAPT (0.63) MAPTL3MBTL1NPY5RMEN1KMT2A
SCHEMBL1378932 0.87 MAPT (0.61) MAPTL3MBTL1NPY5RMEN1KMT2A
SCHEMBL12995363 0.87 MAPT (0.61) MAPTL3MBTL1NPY5RMEN1KMT2A
SCHEMBL12995401 0.86 MAPT (0.61) MAPTL3MBTL1NPY5RMEN1KMT2A
SCHEMBL6420404 0.86 MAPT (0.67) MAPTL3MBTL1NPY5RMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946227-B2 Piperazine derivatives and methods of use MERCK SERONO SA (CH) 2015-02-03 US disclosed
US-8946227-B2 Piperazine derivatives and methods of use MERCK SERONO SA (CH) 2015-02-03 US disclosed
US-20130143893-A1 PIPERAZINE DERIVATIVES AND METHODS OF USE MERCK SERONO SA (CH) 2013-06-06 US disclosed
US-20130143893-A1 PIPERAZINE DERIVATIVES AND METHODS OF USE MERCK SERONO SA (CH) 2013-06-06 US disclosed
US-20100305137-A1 PIPERAZINE DERIVATIVES AND METHODS OF USE MERCK SERONO SA (CH) 2010-12-02 US disclosed
US-20100305137-A1 PIPERAZINE DERIVATIVES AND METHODS OF USE MERCK SERONO SA (CH) 2010-12-02 US disclosed
US-7754722-B2 Piperazine derivatives and methods of use MERCK SERONO SA (CH) 2010-07-13 US disclosed
US-7754722-B2 Piperazine derivatives and methods of use MERCK SERONO SA (CH) 2010-07-13 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 (2 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-20100305137-A1 PIPERAZINE DERIVATIVES AND METHODS OF USE CATSPER1, NASP, HDAC5 MAPT 4541/4885L3MBTL1 4026/4885NPY5R 359/4885
US-20130143893-A1 PIPERAZINE DERIVATIVES AND METHODS OF USE CATSPER1, NASP, HDAC5 MAPT 4541/4885L3MBTL1 4026/4885NPY5R 359/4885

“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.