Piperazine

Piperazine

SCHEMBL23217140

C1CNCCN1.FC(F)(F)c1cc(Br)cc(N2CCNCC2)c1

nearest known ligand 0.75

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
ADRB1 P08588 7/20 0.75
HTR3E A5X5Y0 2/20 0.58
HTR3B O95264 2/20 0.58
HTR3A P46098 2/20 0.58
HTR3D Q70Z44 2/20 0.58
HTR3C Q8WXA8 2/20 0.58
SIGMAR1 Q99720 2/20 0.58
ALDH1A1 P00352 1/20 0.58
HTR1D P28221 1/20 0.58
HTR2C P28335 1/20 0.58
MAPT P10636 1/20 0.56
THRB P10828 1/20 0.56
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
PHGDH O43175 1/20 0.43
MAOB P27338 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRNB2 P17787 3/20 0.40

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
SCHEMBL5340202 0.98 ADRB1 (0.77) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1914919 0.86 ADRB1 (1.00) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL30955834 0.84 ADRB1 (0.96) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL12684724 0.83 ADRB1 (0.53) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL2925802 0.80 ADRB1 (0.80) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL2273336 0.79 ADRB1 (0.77) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL18245017 0.79 ADRB1 (0.77) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL10104274 0.79 ADRB1 (0.77) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL3758362 0.79 ADRB1 (0.49) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL3308233 0.79 ADRB1 (0.77) ADRB1HTR3EHTR3BHTR3AHTR3D

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 ADRB1 2441/4885HTR3E 1044/4885HTR3B 938/4885

“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.