Piperazine

Piperazine

SCHEMBL3987157

C1CNCCN1.O=C(Cl)Cl

nearest known ligand 0.50

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
HIF1A Q16665 1/20 0.50
MAPT P10636 1/20 0.50
PDE4A P27815 1/20 0.50
KDR P35968 1/20 0.50
CXCR4 P61073 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 3/20 0.38
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRA6 Q16445 2/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38

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
Piperazine SCHEMBL3992732 0.96 HIF1A (0.46) HIF1AMAPTPDE4AKDRCXCR4
Piperazine SCHEMBL27710376 0.87
SCHEMBL3403932 0.85
Piperazine SCHEMBL4823909 0.85 MAPT (0.43) HIF1AMAPTPDE4AKDRCXCR4
Pyrrolidine SCHEMBL1202575 0.85
Azetidine SCHEMBL17460271 0.83
Piperidine SCHEMBL2675445 0.82 ALDH1A1 (0.60) HIF1AMAPTPDE4AKDRCXCR4
Piperazine SCHEMBL3258524 0.82 MAPT (0.40) HIF1AMAPTPDE4AKDRCXCR4
Azepane SCHEMBL27420992 0.82 ALDH1A1 (0.60) HIF1AMAPTPDE4AKDRCXCR4
Piperazine SCHEMBL5875145 0.78 HIF1A (0.55) HIF1AMAPTPDE4AKDRCXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090198058-A1 Process for Preparation of Dextrorotatory Isomer of 6-(5- chloro-pyrid-2-yl)-5-[(4-methyl -1-piperazinyl) carbonyloxy] -7-oxo-6,7-dihydro-5H-pyrrolo [3,4-b] pyrazine (Eszopiclone) USV LIMITED (IN) 2009-08-06 US claimed
WO-2009063486-A2 PROCESS FOR PREPARATION OF DEXTROROTATORY ISOMER OF 6-(5-CHLORO-PYRID-2-YI)-5-[(4-METHYL -1-PIPERAZINYL) CARBONYLOXY]-7-OXO-6,7-DIHYDRO-5H-PYRROLO [3,4-B] PYRAZINE (ESZOPICLONE) USV LIMITED (IN) 2009-05-22 WO claimed
US-9981972-B2 N-hydroxy bicyclic hydantoin carbamates as tools for identification of serine hydrolase targets ABIDE THERAPEUTICS, INC. (US) 2018-05-29 US disclosed
US-20170183353-A1 N-HYDROXY BICYCLIC HYDANTOIN CARBAMATES AS TOOLS FOR INDETIFICATION OF SERINE HYDROLASE TARGETS H. LUNDBECK A/S (DK) 2017-06-29 US disclosed
WO-2015179563-A2 N-HYDROXY BICYCLIC HYDANTOIN CARBAMATES AS TOOLS FOR IDENTIFICATION OF SERINE HYDROLASE TARGETS ABIDE THERAPEUTICS, INC. (US) 2015-11-26 WO disclosed
CN-102516176-A Indazole derivatives that inhibit TRPVL receptor ABBOTT LAB 2012-06-27 CN disclosed
US-20090198058-A1 Process for Preparation of Dextrorotatory Isomer of 6-(5- chloro-pyrid-2-yl)-5-[(4-methyl -1-piperazinyl) carbonyloxy] -7-oxo-6,7-dihydro-5H-pyrrolo [3,4-b] pyrazine (Eszopiclone) USV LIMITED (IN) 2009-08-06 US disclosed
US-7557101-B2 4,5,6,7-tetrahydro-thieno[3,2-c] pyridine derivatives HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
WO-2009063486-A2 PROCESS FOR PREPARATION OF DEXTROROTATORY ISOMER OF 6-(5-CHLORO-PYRID-2-YI)-5-[(4-METHYL -1-PIPERAZINYL) CARBONYLOXY]-7-OXO-6,7-DIHYDRO-5H-PYRROLO [3,4-B] PYRAZINE (ESZOPICLONE) USV LIMITED (IN) 2009-05-22 WO disclosed
CN-100400523-C Substituted piperazines, (1,4) diaza * class and 2, 5-diazabicyclo (2.2.1) heptanes as histamine H1 and/or H3 antagonists or histamine H3 reverse antagonists GLAXO GROUP LTD (GB) 2008-07-09 CN disclosed
US-20080146558-A1 4,5,6,7-Tetrahydro-Thieno [3,2-C] Pyridine Derivatives HOFFMANN-LA ROCHE, INC. 2008-06-19 US disclosed
CN-101070309-A Substituted piperazines as histamine H1 and/or H3 antagonists or histamine H3 reverse antagonists, (1, 4) diazabi and 2, 5-diazabicyclo (2.2.1) heptanes GLAXO GROUP LTD (GB) 2007-11-14 CN disclosed
CN-1726201-A Substituted piperazines, (1,4) diaza * class and 2, 5-diazabicyclo (2.2.1) heptanes as histamine H1 and/or H3 antagonists or histamine H3 reverse antagonists GLAXO GROUP LTD (GB) 2006-01-25 CN 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 (3 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-20080146558-A1 4,5,6,7-Tetrahydro-Thieno [3,2-C] Pyridine Derivatives HRH4, HRH3, HRH2 HIF1A 989/4885MAPT 2444/4885PDE4A 656/4885
US-20090198058-A1 Process for Preparation of Dextrorotatory Isomer of 6-(5- chloro-pyrid-2-yl)-5-[(4-methyl -1-piperazinyl) carbonyloxy] -7-oxo-6,7-dihydro-5H-pyrrolo [3,4-b] pyrazine (Eszopiclone) CYP3A5, CYP3A7, CYP4Z1 HIF1A 4460/4885MAPT 3034/4885PDE4A 2608/4885
US-20170183353-A1 N-HYDROXY BICYCLIC HYDANTOIN CARBAMATES AS TOOLS FOR INDETIFICATION OF SERINE HYDROLASE TARGETS HPN, BCHE, PRSS1 HIF1A 475/4885MAPT 2876/4885PDE4A 2938/4885

“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.