SCHEMBL4229736

SCHEMBL4229736

N#Cc1ccc2c(c1)CCN(C(=O)c1ccc(OCCCN3CCCCC3)cc1)C2

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.63
HRH1 P35367 2/20 0.63
CYP2D6 P10635 1/20 0.63
KCNH2 Q12809 2/20 0.60
NAMPT P43490 1/20 0.53
HRH2 P25021 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAOB P27338 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
Hydrochloric Acid SCHEMBL4239620 0.99 HRH3 (0.65) HRH3HRH1CYP2D6KCNH2NAMPT
SCHEMBL4229884 0.96 HRH3 (0.63) HRH3HRH1CYP2D6KCNH2NAMPT
Hydrochloric Acid SCHEMBL4233207 0.95 HRH3 (0.65) HRH3HRH1CYP2D6KCNH2NAMPT
SCHEMBL4224193 0.94 HRH3 (0.61) HRH3HRH1CYP2D6KCNH2HRH2
Hydrochloric Acid SCHEMBL4233278 0.93 HRH3 (0.61) HRH3HRH1CYP2D6KCNH2HRH2
SCHEMBL4233372 0.93 HRH3 (0.64) HRH3HRH1CYP2D6KCNH2NAMPT
Hydrochloric Acid SCHEMBL4236165 0.92 HRH3 (0.65) HRH3HRH1CYP2D6KCNH2NAMPT
SCHEMBL13951219 0.86 HRH3 (0.62) HRH3HRH1CYP2D6KCNH2CYP3A4
SCHEMBL4235098 0.86 HRH3 (0.62) HRH3HRH1KCNH2CYP3A4
SCHEMBL4827043 0.86 HRH3 (0.51) HRH3HRH1CYP2D6KCNH2CYP3A4

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 9 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-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

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 1/4885HRH1 3/4885CYP2D6 2332/4885
US-20090042862-A1 NOVEL COMPOUNDS GRIN2C, GRIN2A, GRIN2B HRH3 512/4885HRH1 709/4885CYP2D6 1010/4885

“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.