SCHEMBL4239675

SCHEMBL4239675

O=C(c1ccc(OCCCN2CCCCC2)cc1)N1CCc2ccc(F)cc2C1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 20/20 0.65
▸ KCNH2 Q12809 8/20 0.63
▸ CYP3A4 P08684 2/20 0.63
▸ HRH1 P35367 1/20 0.53

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
SCHEMBL4239626 0.93 HRH3 (0.63) HRH3KCNH2CYP3A4
Hydrochloric Acid SCHEMBL4232292 0.92 HRH3 (0.62) HRH3KCNH2CYP3A4HRH1
SCHEMBL13951325 0.88 HRH3 (0.65) HRH3KCNH2CYP3A4HRH1
SCHEMBL4233214 0.86 CACNA1B (0.66) HRH3KCNH2CYP3A4HRH1
SCHEMBL4229884 0.86 HRH3 (0.63) HRH3KCNH2CYP3A4HRH1
Hydrochloric Acid SCHEMBL4235031 0.85 CACNA1B (0.65) HRH3KCNH2CYP3A4HRH1
Hydrochloric Acid SCHEMBL4233207 0.85 HRH3 (0.65) HRH3KCNH2HRH1
SCHEMBL4234291 0.84 HRH3 (0.62) HRH3
SCHEMBL4235098 0.84 HRH3 (0.62) HRH3KCNH2CYP3A4HRH1
SCHEMBL13951219 0.84 HRH3 (0.62) HRH3KCNH2CYP3A4HRH1

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 1/4885KCNH2 487/4885CYP3A4 2555/4885
US-20090042862-A1 NOVEL COMPOUNDS GRIN2C, GRIN2A, GRIN2B HRH3 512/4885KCNH2 700/4885CYP3A4 800/4885

“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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