Piperazine

Piperazine

SCHEMBL5524481

C1CNCCN1.CCC[N+]1(C)CCN(CCNc2nn3ccccc3c2N)CC1.Nc1c(N2CCN(CCO)CC2)nn2ccccc12

nearest known ligand 0.32

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 15)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.31
HTR3B O95264 2/20 0.31
HTR3A P46098 2/20 0.31
HTR3D Q70Z44 2/20 0.31
HTR3C Q8WXA8 2/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
SIRT6 Q8N6T7 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3839724 0.85 DRD2 (0.38) TLR8TLR7KDM4EGAA
SCHEMBL26010421 0.78 KAT2B (0.39) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3856354 0.77 MEN1 (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3835753 0.75 KAT2B (0.39) KDM4EGAA
SCHEMBL10118459 0.74 DRD2 (0.48) TLR8TLR7
SCHEMBL1844920 0.74 LCK (0.44) KDM4EALDH1A1GAA
SCHEMBL1841847 0.71 KAT2B (0.51)
Hydrochloric Acid SCHEMBL1839969 0.71 KAT2B (0.50)
SCHEMBL1841548 0.69 KAT2B (0.48) KDM4EALDH1A1MEN1POLBGAA
SCHEMBL3841138 0.69 VCP (0.32) ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070136959-A1 Composition for dyeing keratin fibers comprising at least one cationic 3-amino-pyrazolopyridine derivative, and methods of use thereof L'OREAL S.A. (FR) 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-20070136959-A1 Composition for dyeing keratin fibers comprising at least one cationic 3-amino-pyrazolopyridine derivative, and methods of use thereof KRT18, COX5A, PNPO HTR3E 1391/4885HTR3B 1023/4885HTR3A 672/4885

“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.