SCHEMBL4234949

SCHEMBL4234949

O=C(c1ccc(OCCCN2CCCCC2)cc1)N1CCc2cc(F)ccc21

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 2/20 0.56
▸ TP53 P04637 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ HRH3 Q9Y5N1 11/20 0.54
▸ KCNH2 Q12809 4/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ MAOB P27338 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ MAOA P21397 1/20 0.50
▸ ALDH1A1 P00352 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
SCHEMBL4228386 0.88 KDM4E (0.62) CACNA1BHRH3KCNH2MAOBKDM4E
SCHEMBL4239664 0.88 CACNA1B (0.56) CACNA1BHRH3MAOBKDM4EALDH1A1
Hydrochloric Acid SCHEMBL4229804 0.87 CACNA1B (0.55) CACNA1BHRH3MAOBKDM4EALDH1A1
SCHEMBL4229899 0.85 CACNA1B (0.76) CACNA1BHRH3KCNH2MAOBKDM4E
SCHEMBL4223249 0.84 HRH3 (0.56) CACNA1BLMNAHRH3KCNH2MAOB
Hydrochloric Acid SCHEMBL4228835 0.84 CACNA1B (0.74) CACNA1BHRH3KCNH2MAOBKDM4E
SCHEMBL4235102 0.84 CACNA1B (0.52) CACNA1BHRH3KCNH2MAOBKDM4E
SCHEMBL4233071 0.83 ALDH1A1 (0.57) CACNA1BHRH3KCNH2MAOBKDM4E
SCHEMBL4239675 0.83 HRH3 (0.65) HRH3KCNH2CYP3A4
SCHEMBL4228947 0.82 CACNA1B (0.50) CACNA1BLMNAHRH3KCNH2MAOB

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 CACNA1B 850/4885TP53 4710/4885LMNA 3114/4885
US-20090042862-A1 NOVEL COMPOUNDS GRIN2C, GRIN2A, GRIN2B CACNA1B 152/4885TP53 4835/4885LMNA 2259/4885

“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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