SCHEMBL4540545

SCHEMBL4540545

CCCCCC1CNCCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.54
HTR2A P28223 3/20 0.54
HTR2B P41595 3/20 0.54
TAAR1 Q96RJ0 2/20 0.47
BCHE P06276 1/20 0.41
PRCP P42785 2/20 0.40
CYP2D6 P10635 1/20 0.39
MET P08581 1/20 0.39
ALK Q9UM73 1/20 0.39

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
SCHEMBL1961198 0.89 HTR2C (0.58) HTR2CHTR2AHTR2BTAAR1PRCP
SCHEMBL1573628 0.85 CYP2D6 (0.45) HTR2CHTR2AHTR2BBCHECYP2D6
SCHEMBL11840965 0.84 CYP2D6 (0.44) HTR2CHTR2ABCHECYP2D6
SCHEMBL175085 0.83 HTR2C (0.63) HTR2CHTR2AHTR2BTAAR1PRCP
SCHEMBL11846170 0.80 MEN1 (0.46) HTR2CHTR2AHTR2BBCHECYP2D6
SCHEMBL6758153 0.80 BCHE (0.59) BCHE
SCHEMBL28989835 0.78 BCHE (0.58) BCHECYP2D6
SCHEMBL28989836 0.78 BCHE (0.58) BCHECYP2D6
SCHEMBL28256253 0.78 BCHE (0.58) BCHECYP2D6
SCHEMBL19259383 0.78 BCHE (0.58) BCHECYP2D6

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042862-A1 NOVEL COMPOUNDS BEST DESMOND JOHN 2009-02-12 US disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
US-4382029-A Process useful for preparing 7,8-acetamido, hydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepines SMITHKLINE BECKMAN CORPORATION (US) 1983-05-03 US disclosed
US-4327023-A Intermediates for preparing 7,8-amino, hydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepines SMITHKLINE CORPORATION (US) 1982-04-27 US disclosed
US-4284556-A 7,8-Amino, hydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepines SMITHKLINE CORPORATION (US) 1981-08-18 US disclosed

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 HTR2C 39/4885HTR2A 20/4885HTR2B 22/4885
US-20090042862-A1 NOVEL COMPOUNDS GRIN2C, GRIN2A, GRIN2B HTR2C 24/4885HTR2A 41/4885HTR2B 21/4885

“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.