SCHEMBL4229899

SCHEMBL4229899

O=C(c1ccc(OCCCN2CCCCC2)cc1)N1CCc2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.76
RAB9A P51151 3/20 0.66
NPC1 O15118 2/20 0.66
ALDH1A1 P00352 6/20 0.64
HPGD P15428 3/20 0.64
TSHR P16473 2/20 0.64
POLB P06746 1/20 0.64
MAPT P10636 1/20 0.64
CACNA1H O95180 2/20 0.62
SMN1; SMN2 Q16637 3/20 0.60
KDM4E B2RXH2 5/20 0.60
HRH3 Q9Y5N1 4/20 0.58
HRH4 Q9H3N8 1/20 0.55
MAOB P27338 1/20 0.55
KCNH2 Q12809 1/20 0.54
BCHE P06276 1/20 0.54
ACHE P22303 1/20 0.54
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL4228835 0.99 CACNA1B (0.74) CACNA1BRAB9ANPC1ALDH1A1HPGD
SCHEMBL4225316 0.94 CACNA1B (0.74) CACNA1BRAB9ANPC1ALDH1A1HPGD
SCHEMBL4239664 0.85 CACNA1B (0.56) CACNA1BALDH1A1CACNA1HKDM4EHRH3
SCHEMBL4228386 0.85 KDM4E (0.62) CACNA1BRAB9ANPC1ALDH1A1HPGD
SCHEMBL4234949 0.85 CACNA1B (0.56) CACNA1BALDH1A1CACNA1HKDM4EHRH3
SCHEMBL4225264 0.85 HRH3 (0.72) CACNA1BALDH1A1HPGDCACNA1HSMN1; SMN2
Hydrochloric Acid SCHEMBL4229804 0.84 CACNA1B (0.55) CACNA1BALDH1A1CACNA1HKDM4EHRH3
Hydrochloric Acid SCHEMBL4228880 0.84 HRH3 (0.70) CACNA1BALDH1A1HPGDCACNA1HKDM4E
SCHEMBL4233214 0.82 CACNA1B (0.66) CACNA1BALDH1A1KDM4EHRH3KCNH2
SCHEMBL4223249 0.82 HRH3 (0.56) CACNA1BKDM4EHRH3MAOBKCNH2

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 12 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-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

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 CACNA1B 850/4885RAB9A 1241/4885NPC1 2143/4885
US-20090042862-A1 NOVEL COMPOUNDS GRIN2C, GRIN2A, GRIN2B CACNA1B 152/4885RAB9A 1174/4885NPC1 744/4885

“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.