Piperazine

Piperazine

SCHEMBL6367258

C1CNCCN1.O=C(O)C1=CNC=CC1

nearest known ligand 0.37

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
TSHR P16473 3/20 0.37
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37
GABRG3 Q99928 2/20 0.37
GABRQ Q9UN88 2/20 0.37
SLC6A1 P30531 1/20 0.37
SLC6A13 Q9NSD5 1/20 0.37
GABRR1 P24046 1/20 0.37

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
SCHEMBL3652674 0.92
SCHEMBL6367263 0.72
SCHEMBL11305752 0.71
SCHEMBL1274334 0.69 EGFR (0.33)
SCHEMBL10482141 0.69 CHRM3 (0.41) TSHRBLMLMNA
SCHEMBL23792944 0.65
SCHEMBL584416 0.65 TSHR (0.38) TSHRGABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL7212773 0.63 BLM (0.40) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL3719047 0.63 TSHR (0.31) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL3402939 0.63 TSHR (0.31) TSHRGABRPGABRDGABRA1GABRB1

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-20050004136-A1 Novel amidoalkyl-piperidine and amidoalkyl-piperazine derivatives useful as neurokinin receptor modulators PAN KEVIN (US) 2005-01-06 US disclosed
US-20020183316-A1 Amidoalkyl-piperidine and amidoalkyl-piperazine derivatives useful for the treatment of nervous system disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-12-05 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 (2 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-20050004136-A1 Novel amidoalkyl-piperidine and amidoalkyl-piperazine derivatives useful as neurokinin receptor modulators OPRL1, NPSR1, NPFFR1 TSHR 403/4885GABRP 356/4885GABRD 547/4885
US-20020183316-A1 Amidoalkyl-piperidine and amidoalkyl-piperazine derivatives useful for the treatment of nervous system disorders OPRL1, PMP22, FAAH TSHR 1355/4885GABRP 621/4885GABRD 703/4885

“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.