Piperazine

Piperazine

SCHEMBL4796334

C1CNCCN1.Nc1ncc2ccccc2n1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ESR1

The experimentally established mechanism targets of Piperazine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.43
KDR P35968 1/20 0.43
JAK3 P52333 1/20 0.43
MAPK14 Q16539 1/20 0.43
KDM4E B2RXH2 3/20 0.41
HTR3A P46098 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
USP2 O75604 1/20 0.41
HTR3B O95264 1/20 0.41
ADRB1 P08588 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR1A P08908 1/20 0.41
HTR2C P28335 1/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR7 P34969 1/20 0.41
HTT P42858 1/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL29509257 0.88 LCK (0.50) LCKKDRJAK3MAPK14KDM4E
SCHEMBL41506 0.88 LCK (0.50) LCKKDRJAK3MAPK14KDM4E
Hydrochloric Acid SCHEMBL28230152 0.86 LCK (0.49) LCKKDRJAK3MAPK14KDM4E
Hydrochloric Acid SCHEMBL3468306 0.86 LCK (0.49) LCKKDRJAK3MAPK14KDM4E
Hydrochloric Acid SCHEMBL29486326 0.86 LCK (0.49) LCKKDRJAK3MAPK14KDM4E
Hydrochloric Acid SCHEMBL17237902 0.84 LCK (0.47) LCKKDRJAK3MAPK14KDM4E
Piperazine SCHEMBL27739524 0.78 HTR3A (0.42) KDM4EHTR3AALDH1A1CYP1A2HTR3E
Biphenyl SCHEMBL28889831 0.75 ADORA2A (0.51) LCKKDRJAK3MAPK14CYP1A2
SCHEMBL29109657 0.74 METAP2 (0.46) LCKKDRJAK3MAPK14KDM4E
SCHEMBL561843 0.73 LCK (0.37) LCKKDRJAK3MAPK14KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
WO-2008005368-A2 PIPERAZINES AS P2X7 ANTAGONISTS ABBOTT LABORATORIES (US) 2008-01-10 WO 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-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 LCK 2103/4885KDR 1859/4885JAK3 4181/4885

“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.