SCHEMBL4233071

SCHEMBL4233071

Cc1ccc2c(c1)CCCN2C(=O)c1ccc(OCCCN2CCCCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
NPSR1 Q6W5P4 1/20 0.57
TSHR P16473 2/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.56
HPGD P15428 1/20 0.56
CACNA1B Q00975 2/20 0.55
HRH3 Q9Y5N1 10/20 0.55
KDM4E B2RXH2 2/20 0.53
MAOB P27338 1/20 0.53
KCNH2 Q12809 2/20 0.52
HRH1 P35367 1/20 0.52
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CACNA1H O95180 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
SCHEMBL4225316 0.85 CACNA1B (0.74) ALDH1A1TSHRPOLBMAPTHPGD
SCHEMBL4831689 0.85 HRH3 (0.56) ALDH1A1TSHRPOLBMAPTHPGD
SCHEMBL4228386 0.85 KDM4E (0.62) ALDH1A1POLBMAPTHPGDCACNA1B
SCHEMBL4239664 0.83 CACNA1B (0.56) ALDH1A1CACNA1BHRH3KDM4EMAOB
SCHEMBL4234949 0.83 CACNA1B (0.56) ALDH1A1CACNA1BHRH3KDM4EMAOB
SCHEMBL4832025 0.82 HRH3 (0.60) ALDH1A1TSHRPOLBMAPTHPGD
Hydrochloric Acid SCHEMBL4229804 0.82 CACNA1B (0.55) ALDH1A1CACNA1BHRH3KDM4EMAOB
SCHEMBL4223249 0.82 HRH3 (0.56) CACNA1BHRH3KDM4EMAOBKCNH2
SCHEMBL4235102 0.81 CACNA1B (0.52) ALDH1A1TSHRPOLBMAPTHPGD
SCHEMBL4229899 0.80 CACNA1B (0.76) ALDH1A1TSHRPOLBMAPTHPGD

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 ALDH1A1 2111/4885NPSR1 110/4885TSHR 881/4885
US-20090042862-A1 NOVEL COMPOUNDS GRIN2C, GRIN2A, GRIN2B ALDH1A1 1104/4885NPSR1 319/4885TSHR 3251/4885

“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.