SCHEMBL4036669

SCHEMBL4036669

C=CCNC(=O)C1CN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CCN1S(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.48
GAA P10253 2/20 0.47
MAPK1 P28482 1/20 0.47
TSHR P16473 1/20 0.46
GFER P55789 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
SCHEMBL1382418 0.90 SMN1; SMN2 (0.49) ALDH1A1HPGDGAATSHRGFER
SCHEMBL4033037 0.90 SMN1; SMN2 (0.49) ALDH1A1HPGDGAATSHRGFER
SCHEMBL4035900 0.90 SMN1; SMN2 (0.49) ALDH1A1HPGDGAATSHRGFER
Hydrochloric Acid SCHEMBL1381183 0.89 SMN1; SMN2 (0.49) ALDH1A1HPGDGAATSHRGFER
SCHEMBL4035105 0.87 ALDH1A1 (0.48) ALDH1A1HPGDGAAMAPK1
SCHEMBL4034695 0.86 GAA (0.51) ALDH1A1HPGDGAAMAPK1TSHR
SCHEMBL4036675 0.86 ALDH1A1 (0.51) ALDH1A1GAA
Hydrochloric Acid SCHEMBL4365526 0.85 ALDH1A1 (0.49) ALDH1A1HPGDGAAMAPK1TSHR
SCHEMBL4037427 0.85 TSHR (0.52) ALDH1A1HPGDGAAMAPK1TSHR
SCHEMBL4035463 0.83 GAA (0.53) ALDH1A1HPGDGAAMAPK1TSHR

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 ALDH1A1 610/4885HPGD 745/4885GAA 4649/4885

“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.