SCHEMBL4228386

SCHEMBL4228386

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

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.62
▸ CACNA1B Q00975 2/20 0.56
▸ HRH3 Q9Y5N1 10/20 0.54
▸ MAOB P27338 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ POLB P06746 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ CACNA1H O95180 1/20 0.50

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
SCHEMBL4239664 0.88 CACNA1B (0.56) KDM4ECACNA1BHRH3MAOBALDH1A1
SCHEMBL4234949 0.88 CACNA1B (0.56) KDM4ECACNA1BHRH3MAOBALDH1A1
Hydrochloric Acid SCHEMBL4229804 0.87 CACNA1B (0.55) KDM4ECACNA1BHRH3MAOBALDH1A1
SCHEMBL4223249 0.86 HRH3 (0.56) KDM4ECACNA1BHRH3MAOBKCNH2
SCHEMBL4235102 0.85 CACNA1B (0.52) KDM4ECACNA1BHRH3MAOBALDH1A1
SCHEMBL4229899 0.85 CACNA1B (0.76) KDM4ECACNA1BHRH3MAOBALDH1A1
SCHEMBL4233071 0.85 ALDH1A1 (0.57) KDM4ECACNA1BHRH3MAOBALDH1A1
SCHEMBL4229965 0.84 HRH3 (0.70) KDM4ECACNA1BHRH3ALDH1A1HPGD
Hydrochloric Acid SCHEMBL4228835 0.84 CACNA1B (0.74) KDM4ECACNA1BHRH3MAOBALDH1A1
SCHEMBL4228947 0.84 CACNA1B (0.50) KDM4ECACNA1BHRH3MAOBMAPT

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 KDM4E 1909/4885CACNA1B 850/4885HRH3 1/4885
US-20090042862-A1 NOVEL COMPOUNDS GRIN2C, GRIN2A, GRIN2B KDM4E 1950/4885CACNA1B 152/4885HRH3 512/4885

“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.

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