SCHEMBL4381243

SCHEMBL4381243

O=C(CCC(=O)N1CCN(C2CCCC2)CC1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.73
KDM4E B2RXH2 6/20 0.59
ALDH1A1 P00352 4/20 0.59
POLB P06746 1/20 0.52
ACHE P22303 1/20 0.50
MAPT P10636 1/20 0.50
HIF1A Q16665 1/20 0.50
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL4386212 0.99 HRH3 (0.72) HRH3KDM4EALDH1A1POLBACHE
SCHEMBL4377352 0.92 HRH3 (0.76) HRH3KDM4EALDH1A1POLBMAPT
Hydrochloric Acid SCHEMBL4377272 0.91 HRH3 (0.77) HRH3KDM4EALDH1A1POLBMAPT
SCHEMBL2835721 0.90 ACHE (0.62) HRH3ACHE
SCHEMBL4386760 0.85 HRH3 (1.00) HRH3KDM4EALDH1A1POLB
SCHEMBL13636480 0.85 HRH3 (0.65) HRH3KDM4EALDH1A1POLBMAPT
SCHEMBL4377249 0.84 HRH3 (0.97) HRH3ALDH1A1POLB
Hydrochloric Acid SCHEMBL4375554 0.84 HRH3 (1.00) HRH3KDM4EALDH1A1POLB
SCHEMBL4379142 0.84 HRH3 (0.97) HRH3ALDH1A1POLB
SCHEMBL17884749 0.84 HRH3 (0.76) HRH3KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP claimed
EP-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP disclosed
US-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 US disclosed
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 US disclosed
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 US disclosed
EP-1421071-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS NOVO NORDISK A/S (DK) 2004-05-26 EP disclosed
US-20040019039-A1 Substituted piperazines and diazepanes HIGH POINT PHARMACEUTICALS, LLC 2004-01-29 US disclosed
WO-2003004480-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANES AS HISTAMINE H3 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2003-01-16 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-20080113968-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 HRH3 1/4885KDM4E 1567/4885ALDH1A1 1907/4885
US-20040019039-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 HRH3 1/4885KDM4E 1567/4885ALDH1A1 1907/4885

“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.