SCHEMBL4223237

SCHEMBL4223237

O=C(c1ccc(OCCCN2CCCCC2)cc1)N1Cc2ccccc2C1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.70
CACNA1B Q00975 2/20 0.68
KDM4E B2RXH2 5/20 0.65
ALDH1A1 P00352 3/20 0.65
KCNH2 Q12809 3/20 0.62
HRH1 P35367 1/20 0.62
CACNA1H O95180 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HRH4 Q9H3N8 1/20 0.59
DRD2 P14416 1/20 0.59
MAOB P27338 1/20 0.59
CYP3A4 P08684 1/20 0.59
BCHE P06276 1/20 0.58
ACHE P22303 1/20 0.58

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
Hydrochloric Acid SCHEMBL4230512 0.99 HRH3 (0.68) HRH3CACNA1BKDM4EALDH1A1KCNH2
SCHEMBL4233214 0.93 CACNA1B (0.66) HRH3CACNA1BKDM4EALDH1A1KCNH2
Hydrochloric Acid SCHEMBL4235031 0.92 CACNA1B (0.65) HRH3CACNA1BKDM4EALDH1A1KCNH2
SCHEMBL4493113 0.90 HRH3 (0.79) HRH3CACNA1BKDM4EALDH1A1KCNH2
SCHEMBL4225264 0.89 HRH3 (0.72) HRH3CACNA1BKDM4EALDH1A1KCNH2
SCHEMBL4224446 0.89 HRH3 (0.71) HRH3ALDH1A1KCNH2SMN1; SMN2DRD2
Hydrochloric Acid SCHEMBL4228880 0.88 HRH3 (0.70) HRH3CACNA1BKDM4EALDH1A1KCNH2
Hydrochloric Acid SCHEMBL4229950 0.88 HRH3 (0.69) HRH3ALDH1A1KCNH2HRH1SMN1; SMN2
SCHEMBL4233013 0.87 HRH3 (0.59) HRH3CACNA1BKDM4EALDH1A1KCNH2
SCHEMBL4233321 0.87 HRH3 (0.61) HRH3CACNA1BKDM4EKCNH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042862-A1 NOVEL COMPOUNDS BEST DESMOND JOHN 2009-02-12 US claimed
US-7446103-B2 Bicyclic benzamide compound as histamine H3 receptor ligand useful in the treatment of neurological diseases GLAXO GROUP LIMITED (GB) 2008-11-04 US claimed
US-20070105838-A1 Bicyclic Benzamide Compoundssa as Histamine H3 Receptor Ligand Useful in the Treatment of Neurological Diseases GLAXO GROUP LIMITED (GB) 2007-05-10 US claimed
EP-1554243-B1 BICYCLIC BENZAMIDE COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGAND USEFUL IN THE TREATMENT OF NEUROLOGICAL DISEASES GLAXO GROUP LTD (GB) 2006-11-22 EP claimed
EP-1554243-A1 BICYCLIC BENZAMIDE COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGAND USEFUL IN THE TREATMENT OF NEUROLOGICAL DISEASES GLAXO GROUP LIMITED (GB) 2005-07-20 EP claimed
WO-2004037788-A1 BICYCLIC BENZAMIDE COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGAND USEFUL IN THE TREATMENT OF NEUROLOGICAL DISEASES GLAXO GROUP LIMITED (GB) 2004-05-06 WO claimed
US-20090042862-A1 NOVEL COMPOUNDS BEST DESMOND JOHN 2009-02-12 US disclosed
US-20090042862-A1 NOVEL COMPOUNDS BEST DESMOND JOHN 2009-02-12 US disclosed
US-20090042862-A1 NOVEL COMPOUNDS BEST DESMOND JOHN 2009-02-12 US disclosed
US-7446103-B2 Bicyclic benzamide compound as histamine H3 receptor ligand useful in the treatment of neurological diseases GLAXO GROUP LIMITED (GB) 2008-11-04 US disclosed
US-7446103-B2 Bicyclic benzamide compound as histamine H3 receptor ligand useful in the treatment of neurological diseases GLAXO GROUP LIMITED (GB) 2008-11-04 US disclosed
US-7446103-B2 Bicyclic benzamide compound as histamine H3 receptor ligand useful in the treatment of neurological diseases GLAXO GROUP LIMITED (GB) 2008-11-04 US disclosed
US-20070105838-A1 Bicyclic Benzamide Compoundssa as Histamine H3 Receptor Ligand Useful in the Treatment of Neurological Diseases GLAXO GROUP LIMITED (GB) 2007-05-10 US disclosed
US-20070105838-A1 Bicyclic Benzamide Compoundssa as Histamine H3 Receptor Ligand Useful in the Treatment of Neurological Diseases GLAXO GROUP LIMITED (GB) 2007-05-10 US disclosed
US-20070105838-A1 Bicyclic Benzamide Compoundssa as Histamine H3 Receptor Ligand Useful in the Treatment of Neurological Diseases GLAXO GROUP LIMITED (GB) 2007-05-10 US disclosed
EP-1554243-B1 BICYCLIC BENZAMIDE COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGAND USEFUL IN THE TREATMENT OF NEUROLOGICAL DISEASES GLAXO GROUP LTD (GB) 2006-11-22 EP disclosed
EP-1554243-A1 BICYCLIC BENZAMIDE COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGAND USEFUL IN THE TREATMENT OF NEUROLOGICAL DISEASES GLAXO GROUP LIMITED (GB) 2005-07-20 EP disclosed
WO-2004037788-A1 BICYCLIC BENZAMIDE COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGAND USEFUL IN THE TREATMENT OF NEUROLOGICAL DISEASES GLAXO GROUP LIMITED (GB) 2004-05-06 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-20070105838-A1 Bicyclic Benzamide Compoundssa as Histamine H3 Receptor Ligand Useful in the Treatment of Neurological Diseases HRH3, HRH4, HRH1 HRH3 1/4885CACNA1B 850/4885KDM4E 1909/4885
US-20090042862-A1 NOVEL COMPOUNDS GRIN2C, GRIN2A, GRIN2B HRH3 512/4885CACNA1B 152/4885KDM4E 1950/4885

“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.