SCHEMBL4037109

SCHEMBL4037109

CC(CNC(=O)C1CN(C(=O)C(c2ccccc2)c2ccccc2)CCN1S(=O)(=O)c1cccc2cccnc12)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
ALDH1A1 P00352 4/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 3/20 0.47
GFER P55789 1/20 0.47
HCRTR1 O43613 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 2/20 0.46
MAPK1 P28482 2/20 0.46
MAPT P10636 4/20 0.45
TP53 P04637 2/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL4033096 0.89 GAA (0.60) GAAALDH1A1HPGDTSHRGFER
SCHEMBL4033581 0.89 GAA (0.57) GAAALDH1A1HPGDTSHRGFER
SCHEMBL1385884 0.89 MAPK1 (0.59) GAAALDH1A1HPGDTSHRGFER
SCHEMBL14499827 0.87 GAA (0.53) GAAALDH1A1HPGDTSHRGFER
SCHEMBL4035463 0.87 GAA (0.53) GAAALDH1A1HPGDTSHRGFER
SCHEMBL6261734 0.86 MAPK1 (0.55) GAAALDH1A1HPGDTSHRGFER
SCHEMBL4032274 0.86 GAA (0.55) GAAALDH1A1HPGDTSHRGFER
SCHEMBL4035171 0.86 GAA (0.52) GAAALDH1A1HPGDTSHRGFER
SCHEMBL4033244 0.85 GAA (0.58) GAAALDH1A1HPGDTSHRGFER
SCHEMBL4033849 0.85 MAPK1 (0.53) GAAALDH1A1HPGDTSHRGFER

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-8404690-B2 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2013-03-26 US claimed
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP claimed
US-20070142391-A1 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2007-06-21 US claimed
EP-1592389-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-11-09 EP claimed
WO-2004071390-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-08-26 WO claimed
US-8404690-B2 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2013-03-26 US disclosed
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP disclosed
US-20070142391-A1 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2007-06-21 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-20070142391-A1 Piperazine-2-carboxamide derivatives P2RX5, P2RX2, NPY5R GAA 4649/4885ALDH1A1 610/4885HPGD 745/4885

“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.