SCHEMBL4034864

SCHEMBL4034864

O=C(NC1CCc2ccccc21)C1CN(C(=O)C(c2ccccc2)c2ccccc2)CCN1S(=O)(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
GAA P10253 3/20 0.48
PKM P14618 1/20 0.48
USP2 O75604 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 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
SCHEMBL4033382 0.88 POLB (0.43) ALDH1A1POLBHTTGAAPKM
SCHEMBL4033044 0.81 NPY1R (0.42) ALDH1A1POLBHTTUSP2KMT2A
SCHEMBL4036984 0.80 ALDH1A1 (0.47) ALDH1A1POLBHTTGAAPKM
SCHEMBL6190434 0.79 GAA (0.48) ALDH1A1POLBHTTGAAPKM
SCHEMBL4032579 0.77 ALDH1A1 (0.56) ALDH1A1POLBHTTGAAUSP2
SCHEMBL5244514 0.74 ALDH1A1 (0.72) ALDH1A1POLBHTTGAAPKM
SCHEMBL2707026 0.72 MMP1 (0.59) ALDH1A1POLBHTTGAAUSP2
SCHEMBL4035235 0.72 ALDH1A1 (0.76) ALDH1A1POLBHTTGAAPKM
SCHEMBL6189627 0.72 MMP1 (0.52) ALDH1A1GAAUSP2
SCHEMBL4033588 0.72 USP2 (0.54) ALDH1A1POLBHTTGAAPKM

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 610/4885POLB 1416/4885HTT 3916/4885

“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.