SCHEMBL4032671

SCHEMBL4032671

O=C(NCC(c1ccccc1)c1ccccc1)C1CN(C(=O)c2ccccn2)CCN1S(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 3/20 0.47
GFER P55789 1/20 0.47
MAPK1 P28482 3/20 0.46
HCRTR1 O43613 2/20 0.45
KMT2A Q03164 1/20 0.45
ALOX15 P16050 1/20 0.45
POLB P06746 1/20 0.44
MAPT P10636 4/20 0.44
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 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
SCHEMBL4033651 0.92 GAA (0.56) GAAALDH1A1HPGDTSHRGFER
SCHEMBL4034086 0.88 GAA (0.60) GAAALDH1A1HPGDTSHRGFER
SCHEMBL1381658 0.86 GAA (0.52) GAAALDH1A1HPGDTSHRGFER
SCHEMBL4032675 0.84 GAA (0.48) GAAALDH1A1SMN1; SMN2LMNA
SCHEMBL4035069 0.83 GAA (0.53) GAAALDH1A1HPGDTSHRGFER
SCHEMBL4036850 0.82 ALDH1A1 (0.52) GAAALDH1A1HPGDTSHRMAPK1
SCHEMBL4037666 0.81 ALDH1A1 (0.52) ALDH1A1HPGDTSHRGFERMAPK1
SCHEMBL4037109 0.81 GAA (0.57) GAAALDH1A1HPGDTSHRGFER
SCHEMBL4033096 0.80 GAA (0.60) GAAALDH1A1HPGDTSHRGFER
SCHEMBL4032584 0.80 GAA (0.62) 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 6 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
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.