SCHEMBL4033204

SCHEMBL4033204

CC(C)(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc4cccnc34)C(C(=O)NCCO)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
HTT P42858 3/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 5/20 0.48
HPGD P15428 1/20 0.48
GLA P06280 1/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 3/20 0.47
GFER P55789 1/20 0.47
HCRTR1 O43613 1/20 0.46
KMT2A Q03164 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 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
SCHEMBL1381140 1.00 GAA (0.50) GAASMN1; SMN2HTTLMNAMAPT
SCHEMBL1382163 1.00 GAA (0.50) GAASMN1; SMN2HTTLMNAMAPT
SCHEMBL4033037 0.89 SMN1; SMN2 (0.49) GAASMN1; SMN2HTTLMNAMAPT
SCHEMBL4035900 0.89 SMN1; SMN2 (0.49) GAASMN1; SMN2HTTLMNAMAPT
SCHEMBL1382418 0.89 SMN1; SMN2 (0.49) GAASMN1; SMN2HTTLMNAMAPT
Hydrochloric Acid SCHEMBL1381183 0.88 SMN1; SMN2 (0.49) GAASMN1; SMN2HTTLMNAMAPT
SCHEMBL4032653 0.88 MAPK1 (0.51) SMN1; SMN2HTTLMNAMAPTUSP2
SCHEMBL4034764 0.87 TSHR (0.61) GAASMN1; SMN2HTTLMNAMAPT
SCHEMBL1384751 0.86 SMN1; SMN2 (0.50) GAASMN1; SMN2HTTLMNAMAPT
SCHEMBL4034926 0.86 SMN1; SMN2 (0.50) GAASMN1; SMN2HTTLMNAMAPT

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 9 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
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 4649/4885SMN1; SMN2 2201/4885HTT 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.