SCHEMBL4032099

SCHEMBL4032099

CN(C)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc4cccnc34)C(C(=O)NCc3ccccc3)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.55
ALDH1A1 P00352 5/20 0.52
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 3/20 0.47
GAA P10253 2/20 0.47
PKLR P30613 4/20 0.47
MAPT P10636 3/20 0.46
TSHR P16473 1/20 0.45
GFER P55789 1/20 0.45
HCRTR1 O43613 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 1/20 0.43
TP53 P04637 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
SCHEMBL4036762 0.92 ALDH1A1 (0.47) MAPK1ALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL1381658 0.89 GAA (0.52) MAPK1ALDH1A1HPGDPOLBGAA
SCHEMBL4035095 0.88 LMNA (0.60) MAPK1ALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL4032374 0.86 ALDH1A1 (0.49) MAPK1ALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL4034480 0.86 GAA (0.57) MAPK1ALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL4038551 0.85 MMP1 (0.45) TP53
SCHEMBL1385884 0.82 MAPK1 (0.59) MAPK1ALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL4035342 0.81 MAPK1 (0.59) MAPK1ALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL4033651 0.81 GAA (0.56) MAPK1ALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL4036674 0.79 ALDH1A1 (0.53) MAPK1ALDH1A1HPGDPOLBGAA

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 MAPK1 3742/4885ALDH1A1 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.