SCHEMBL4032724

SCHEMBL4032724

O=C(O)[C@H]1CN(S(=O)(=O)c2cccc3cccnc23)CCN1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
GFER P55789 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 4/20 0.54
GAA P10253 1/20 0.54
LMNA P02545 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
FABP1 P07148 1/20 0.52
MAPK1 P28482 3/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL13886798 1.00 TSHR (0.55) TSHRGFERL3MBTL1ALDH1A1GAA
SCHEMBL1381391 0.80 HSD11B1 (0.41) TSHRGFERALDH1A1GAALMNA
SCHEMBL5242999 0.79 ALDH1A1 (0.73) ALDH1A1GAALMNANPSR1MAPK1
SCHEMBL2712002 0.78 L3MBTL1 (0.71) TSHRGFERL3MBTL1ALDH1A1GAA
SCHEMBL24754220 0.78 TSHR (0.71) TSHRALDH1A1GAAMAPK1MAPT
Hydrochloric Acid SCHEMBL28345785 0.77 L3MBTL1 (0.69) TSHRGFERL3MBTL1ALDH1A1GAA
SCHEMBL5245792 0.74 TSHR (0.62) TSHRGFERL3MBTL1ALDH1A1GAA
SCHEMBL5422444 0.74 L3MBTL1 (0.76) TSHRGFERL3MBTL1ALDH1A1GAA
SCHEMBL24782277 0.74 KMT2A (0.57) L3MBTL1ALDH1A1GAALMNAMAPT
SCHEMBL24782284 0.74 KMT2A (0.57) L3MBTL1ALDH1A1GAALMNAMAPT

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
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
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
US-20070142391-A1 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2007-06-21 US 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 TSHR 1619/4885GFER 1828/4885L3MBTL1 4633/4885

“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.