SCHEMBL4695872

SCHEMBL4695872

O=C(OCc1ccccc1)N1CCN(c2ccc(OC3CCN(C4CCC4)CC3)cc2)C(=O)C1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 18/20 0.71
▸ KCNH2 Q12809 6/20 0.61
▸ HRH1 P35367 3/20 0.61
▸ CYP2D6 P10635 1/20 0.56
▸ TMEM97 Q5BJF2 4/20 0.53
▸ SIGMAR1 Q99720 4/20 0.53
▸ HTR1A P08908 2/20 0.51
▸ HRH2 P25021 2/20 0.51
▸ ADRA2C P18825 1/20 0.51
▸ CHRM4 P08173 1/20 0.51
▸ CHRM5 P08912 1/20 0.51
▸ ADRA2A P08913 1/20 0.51
▸ ADRA2B P18089 1/20 0.51
▸ ADRA1D P25100 1/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ HTR2C P28335 1/20 0.51
▸ ADRA1A P35348 1/20 0.51
▸ ADRA1B P35368 1/20 0.51
▸ DRD3 P35462 1/20 0.51
▸ HTR2B P41595 1/20 0.51

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
SCHEMBL4693222 0.98 HRH3 (0.68) HRH3KCNH2HRH1CYP2D6TMEM97
SCHEMBL4691214 0.86 HRH3 (0.52) HRH3KCNH2HRH1CYP2D6
SCHEMBL3577661 0.86 SIGMAR1 (0.60) HRH3HRH1TMEM97SIGMAR1HTR1A
SCHEMBL4691894 0.85 HRH3 (0.61) HRH3KCNH2HRH1
SCHEMBL4694452 0.84 HRH3 (0.50) HRH3KCNH2HRH1
SCHEMBL14006603 0.84 HRH3 (0.98) HRH3KCNH2HRH1CYP2D6
SCHEMBL14006593 0.81 HRH3 (0.72) HRH3KCNH2HRH1CYP2D6
SCHEMBL5836154 0.80 MEN1 (0.53) HRH3HRH1TMEM97SIGMAR1HTR1A
SCHEMBL14006599 0.80 HRH3 (0.71) HRH3KCNH2HRH1CYP2D6
SCHEMBL14006586 0.79 HRH3 (0.70) HRH3KCNH2HRH1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275027-A1 Piperazinone Derivatives Useful as Histamine H3 Receptor Antagonists and/or Inverse Agonists GLAXO GROUP LIMITED (GB) 2008-11-06 — — US disclosed
US-20080275027-A1 Piperazinone Derivatives Useful as Histamine H3 Receptor Antagonists and/or Inverse Agonists GLAXO GROUP LIMITED (GB) 2008-11-06 — — US disclosed
US-20080275027-A1 Piperazinone Derivatives Useful as Histamine H3 Receptor Antagonists and/or Inverse Agonists GLAXO GROUP LIMITED (GB) 2008-11-06 — — US disclosed
EP-1906964-A1 PIPERAZINONE DERIVATIVES USEFUL AS HISTAMINE H3 RECEPTOR ANTAGONISTS AND/OR INVERSE AGONISTS GLAXO GROUP LIMITED (GB) 2008-04-09 — — EP disclosed
WO-2007009741-A1 PIPERAZINONE DERIVATIVES USEFUL AS HISTAMINE H3 RECEPTOR ANTAGONISTS AND/OR INVERSE AGONISTS GLAXO GROUP LIMITED (GB) 2007-01-25 — — WO disclosed
WO-2007009741-A1 PIPERAZINONE DERIVATIVES USEFUL AS HISTAMINE H3 RECEPTOR ANTAGONISTS AND/OR INVERSE AGONISTS GLAXO GROUP LIMITED (GB) 2007-01-25 — — 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-20080275027-A1 Piperazinone Derivatives Useful as Histamine H3 Receptor Antagonists and/or Inverse Agonists HRH3, HRH1, HRH4 HRH3 1/4885KCNH2 497/4885HRH1 2/4885

“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.

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