SCHEMBL4032732

SCHEMBL4032732

O=C(Nc1ccc(CO)cc1)C1CN(C(=O)C(c2ccccc2)c2ccccc2)CCN1S(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
ALDH1A1 P00352 3/20 0.54
POLB P06746 2/20 0.54
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
HTT P42858 3/20 0.53
LMNA P02545 2/20 0.53
USP2 O75604 1/20 0.53
HCRTR1 O43613 1/20 0.51
KMT2A Q03164 1/20 0.51
TP53 P04637 2/20 0.50
TSHR P16473 2/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL1385884 0.85 MAPK1 (0.59) GAAALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL4035457 0.85 CHRM5 (0.45) GAAPOLBMAPTLMNAHCRTR1
SCHEMBL4035463 0.84 GAA (0.53) GAAALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL4033244 0.84 GAA (0.58) GAAALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL4033849 0.84 MAPK1 (0.53) GAAALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL6261734 0.83 MAPK1 (0.55) GAAALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL4037109 0.83 GAA (0.57) GAAALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL14499827 0.83 GAA (0.53) GAAALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL4035477 0.82 MAPK1 (0.53) GAAALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL1384268 0.82 GAA (0.54) GAAALDH1A1POLBMAPTSMN1; SMN2

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 610/4885POLB 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.