SCHEMBL3850249

SCHEMBL3850249

C[C@H]1CCCN1CCCOc1ccc(N2CCNCC2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.57
KCNH2 Q12809 8/20 0.56
CYP3A4 P08684 2/20 0.56
PDE4B Q07343 2/20 0.56
HTR3A P46098 2/20 0.54
CHRM2 P08172 1/20 0.54
SLC6A2 P23975 1/20 0.54
ADRA1A P35348 1/20 0.54
SLC6A3 Q01959 1/20 0.54

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
SCHEMBL3815871 1.00 HRH3 (0.57) HRH3KCNH2CYP3A4PDE4BHTR3A
SCHEMBL3822481 1.00 HRH3 (0.57) HRH3KCNH2CYP3A4PDE4BHTR3A
SCHEMBL1776915 0.84 HRH3 (0.61) HRH3KCNH2CYP3A4PDE4B
SCHEMBL1777481 0.84 HRH3 (0.60) HRH3KCNH2CYP3A4PDE4B
SCHEMBL1778073 0.83 HRH3 (0.59) HRH3KCNH2CYP3A4PDE4B
SCHEMBL13437928 0.82 HRH3 (0.62) HRH3KCNH2HTR3ACHRM2SLC6A2
SCHEMBL1777134 0.81 HRH3 (0.57) HRH3KCNH2CYP3A4PDE4B
SCHEMBL13725587 0.81 HRH3 (0.56) HRH3KCNH2CYP3A4
SCHEMBL27738571 0.81 HRH3 (0.59) HRH3KCNH2CYP3A4PDE4BHTR3A
SCHEMBL4921549 0.80 HRH3 (0.58) HRH3KCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904484-B1 COMPOUNDS GLAXO GROUP LTD (GB) 2009-08-26 EP disclosed
EP-1904484-B1 COMPOUNDS GLAXO GROUP LTD (GB) 2009-08-26 EP 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
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-20080207638-A1 Compounds GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB D.O.O (GB) 2008-08-28 US disclosed
US-20080207638-A1 Compounds GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB D.O.O (GB) 2008-08-28 US disclosed
US-20080207638-A1 Compounds GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB D.O.O (GB) 2008-08-28 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
EP-1904484-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-04-02 EP disclosed
WO-2007009739-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-01-25 WO disclosed
WO-2007009739-A1 COMPOUNDS 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
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 (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-20080207638-A1 Compounds CMA1, MRGPRX2, HRH2 HRH3 16/4885KCNH2 1588/4885CYP3A4 185/4885
US-20080275027-A1 Piperazinone Derivatives Useful as Histamine H3 Receptor Antagonists and/or Inverse Agonists HRH3, HRH1, HRH4 HRH3 1/4885KCNH2 497/4885CYP3A4 1924/4885

“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.