SCHEMBL4229965

SCHEMBL4229965

CC(=O)c1ccc2c(c1)CCN(C(=O)c1ccc(OCCCN3CCCCC3)cc1)CC2

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.70
KDM4E B2RXH2 1/20 0.64
DRD2 P14416 1/20 0.57
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
CACNA1B Q00975 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 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
SCHEMBL4233552 0.90 HRH3 (0.70) HRH3DRD2ALDH1A1HPGD
SCHEMBL14026354 0.88 HRH3 (0.64) HRH3DRD2ALDH1A1HPGDCACNA1B
SCHEMBL4225264 0.87 HRH3 (0.72) HRH3KDM4EDRD2ALDH1A1HPGD
SCHEMBL4230533 0.86 HRH3 (0.65) HRH3DRD2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL4228880 0.86 HRH3 (0.70) HRH3KDM4EDRD2ALDH1A1HPGD
SCHEMBL4224193 0.86 HRH3 (0.61) HRH3DRD2CACNA1B
Hydrochloric Acid SCHEMBL4225310 0.85 HRH3 (0.64) HRH3DRD2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL4233278 0.85 HRH3 (0.61) HRH3DRD2CACNA1B
SCHEMBL4228386 0.84 KDM4E (0.62) HRH3KDM4EALDH1A1HPGDCACNA1B
SCHEMBL4223268 0.83 HRH3 (0.64) HRH3KDM4EDRD2ALDH1A1HPGD

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 1/4885KDM4E 1909/4885DRD2 401/4885
US-20090042862-A1 NOVEL COMPOUNDS GRIN2C, GRIN2A, GRIN2B HRH3 512/4885KDM4E 1950/4885DRD2 96/4885

“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.