SCHEMBL12995355

SCHEMBL12995355

CCCCC(=O)N1CCN(S(=O)(=O)c2cccs2)[C@H](C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)C1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
KDM4E B2RXH2 5/20 0.47
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
REV1 Q9UBZ9 1/20 0.46
NPY5R Q15761 6/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 1/20 0.44
USP2 O75604 2/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
RORC P51449 3/20 0.41

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
SCHEMBL1378548 1.00 MAPT (0.63) MAPTL3MBTL1MEN1KMT2AKDM4E
SCHEMBL6420401 0.89 MAPT (0.67) MAPTL3MBTL1MEN1KMT2AKDM4E
SCHEMBL6420404 0.89 MAPT (0.67) MAPTL3MBTL1MEN1KMT2AKDM4E
SCHEMBL12995363 0.89 MAPT (0.61) MAPTL3MBTL1MEN1KMT2AKDM4E
SCHEMBL1378932 0.89 MAPT (0.61) MAPTL3MBTL1MEN1KMT2AKDM4E
SCHEMBL14237461 0.88 MAPT (0.56) MAPTL3MBTL1MEN1KMT2AKDM4E
SCHEMBL1379097 0.88 MAPT (0.65) MAPTL3MBTL1MEN1KMT2AKDM4E
SCHEMBL12995361 0.88 MAPT (0.65) MAPTL3MBTL1MEN1KMT2AKDM4E
SCHEMBL1378788 0.87 MAPT (0.62) MAPTL3MBTL1MEN1KMT2AKDM4E
SCHEMBL12995366 0.87 MAPT (0.62) MAPTL3MBTL1MEN1KMT2AKDM4E

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 4026/4885MEN1 3848/4885
US-20130143893-A1 PIPERAZINE DERIVATIVES AND METHODS OF USE CATSPER1, NASP, HDAC5 MAPT 4541/4885L3MBTL1 4026/4885MEN1 3848/4885

“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.