SCHEMBL4223249

SCHEMBL4223249

CS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(OCCCN2CCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.56
CACNA1B Q00975 1/20 0.52
KDM4E B2RXH2 1/20 0.50
MAOB P27338 1/20 0.50
KCNH2 Q12809 1/20 0.50
LMNA P02545 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 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
SCHEMBL4228947 0.90 CACNA1B (0.50) HRH3CACNA1BKDM4EMAOBKCNH2
SCHEMBL4228386 0.86 KDM4E (0.62) HRH3CACNA1BKDM4EMAOBKCNH2
SCHEMBL4230533 0.86 HRH3 (0.65) HRH3
Hydrochloric Acid SCHEMBL4225310 0.85 HRH3 (0.64) HRH3
SCHEMBL4234949 0.84 CACNA1B (0.56) HRH3CACNA1BKDM4EMAOBKCNH2
SCHEMBL4239664 0.84 CACNA1B (0.56) HRH3CACNA1BKDM4EMAOB
SCHEMBL4235102 0.84 CACNA1B (0.52) HRH3CACNA1BKDM4EMAOBKCNH2
Hydrochloric Acid SCHEMBL4229804 0.83 CACNA1B (0.55) HRH3CACNA1BKDM4EMAOB
SCHEMBL4229899 0.82 CACNA1B (0.76) HRH3CACNA1BKDM4EMAOBKCNH2
SCHEMBL4233071 0.82 ALDH1A1 (0.57) HRH3CACNA1BKDM4EMAOBKCNH2

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-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

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.