Piperazine

Piperazine

SCHEMBL23217166

C1CNCCN1.CC(C)(C)OC(=O)N1CCN(c2cc(Br)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.46

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
ESR1 known ✓ P03372 1/20 0.40
ADRB1 P08588 1/20 0.46
PHGDH O43175 1/20 0.45
LMNA P02545 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
PDK2 Q15119 1/20 0.44
STS P08842 1/20 0.43
GPR119 Q8TDV5 3/20 0.42
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ESRRB O95718 1/20 0.40
ESRRA P11474 1/20 0.40
ESRRG P62508 1/20 0.40
ABCB1 P08183 2/20 0.40
TACR1 P25103 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
EGLN2 Q96KS0 1/20 0.39

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
SCHEMBL5341377 0.94 PHGDH (0.48) PHGDHLMNAALDH1A1MAPTPDK2
SCHEMBL23217017 0.86 STS (0.54) ADRB1LMNAALDH1A1MAPTPDK2
SCHEMBL24847031 0.83 MAPT (0.56) LMNAALDH1A1MAPTPDK2GPR119
SCHEMBL23228913 0.81 GPR119 (0.51) PHGDHLMNAALDH1A1MAPTPDK2
SCHEMBL31252244 0.81 PHGDH (0.49) PHGDHLMNAALDH1A1MAPTPDK2
SCHEMBL20567850 0.80 MAPT (0.48) LMNAALDH1A1MAPTPDK2STS
SCHEMBL30011298 0.80 BCL9 (0.53) ADRB1LMNAALDH1A1MAPTPDK2
SCHEMBL3753571 0.80 MAPT (0.50) LMNAALDH1A1MAPTPDK2GPR119
Piperazine SCHEMBL27197226 0.80 MAPT (0.50) LMNAALDH1A1MAPTPDK2GPR119
SCHEMBL23456298 0.79 STS (0.48) LMNAALDH1A1MAPTPDK2STS

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-20240124400-A1 LPXH TARGETING COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF MAKING AND USING THE SAME DUKE UNIVERSITY (US) 2024-04-18 US disclosed
WO-2021072369-A1 LPXH TARGETING COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF MAKING AND USING THE SAME DUKE UNIVERSITY (US) 2021-04-15 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-20240124400-A1 LPXH TARGETING COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF MAKING AND USING THE SAME CFH, LPAR3, CBR3 ESR1 2006/4885ADRB1 2441/4885PHGDH 1040/4885

“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.