SCHEMBL4034480

SCHEMBL4034480

CN(C)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc4cccnc34)C(C(=O)NC(c3ccccc3)c3ccccc3)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 3/20 0.45
GFER P55789 1/20 0.45
HCRTR1 O43613 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
PKLR P30613 4/20 0.42
PKM P14618 2/20 0.42
SMN1; SMN2 Q16637 1/20 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
SCHEMBL4032584 0.92 GAA (0.62) GAAALDH1A1POLBTSHRGFER
SCHEMBL1381658 0.89 GAA (0.52) GAAALDH1A1POLBTSHRGFER
SCHEMBL4032099 0.86 MAPK1 (0.55) GAAALDH1A1POLBTSHRGFER
SCHEMBL4034086 0.86 GAA (0.60) GAAALDH1A1POLBTSHRGFER
SCHEMBL4034484 0.85 MMP1 (0.44) GAA
SCHEMBL4036762 0.85 ALDH1A1 (0.47) GAAALDH1A1POLBTSHRGFER
SCHEMBL1383866 0.82 GAA (0.64) GAAALDH1A1TSHRGFERHCRTR1
SCHEMBL4033651 0.81 GAA (0.56) GAAALDH1A1POLBTSHRGFER
SCHEMBL4032606 0.80 GAA (0.57) GAAALDH1A1POLBTSHRGFER
SCHEMBL4032374 0.79 ALDH1A1 (0.49) GAAALDH1A1POLBHCRTR1KMT2A

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 10 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
EP-1592389-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-11-09 EP disclosed
WO-2004071390-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-08-26 WO 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 610/4885POLB 1416/4885

“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.