SCHEMBL2854561

SCHEMBL2854561

COC(=O)CCc1ccc2cccc(N3CCNCC3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.47
HTR2C P28335 2/20 0.47
SLC6A4 P31645 1/20 0.47
HRH1 P35367 1/20 0.44
ADRA1B P35368 1/20 0.44
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
HTR6 P50406 6/20 0.41
HTR5A P47898 2/20 0.40
HTR1A P08908 3/20 0.39
HTR3E A5X5Y0 2/20 0.39
HTR3B O95264 2/20 0.39
HTR3A P46098 2/20 0.39
HTR3D Q70Z44 2/20 0.39
HTR3C Q8WXA8 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
HTR7 P34969 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
NCF1 P14598 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
SCHEMBL2852004 0.83 HRH1 (0.49) HTR2AHTR2CHRH1ADRA1BKCNH2
SCHEMBL2848519 0.82 HRH1 (0.43) HRH1ADRA1BKCNH2HRH3
SCHEMBL2850767 0.82 HRH1 (0.51) HTR2CSLC6A4HRH1ADRA1BKCNH2
SCHEMBL2856703 0.81 HRH1 (0.52) HTR2AHTR2CHRH1ADRA1BKCNH2
SCHEMBL3919075 0.80 HRH1 (0.42) HRH1ADRA1BKCNH2HRH3HTR1A
SCHEMBL2852759 0.80 HTR6 (0.50) HTR2AHTR2CSLC6A4HRH1KCNH2
SCHEMBL4014210 0.78 HTR2A (0.58) HTR2AHTR2CSLC6A4HTR6HTR5A
SCHEMBL3715449 0.76 PIM2 (0.44) HRH1
SCHEMBL2854918 0.76 KDM4E (0.45) CYP1A2NCF1HSD17B10CYP2C19KDM4E
SCHEMBL5223620 0.73 HTR2A (0.58) HTR2AHTR2CSLC6A4HTR6HTR5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027108-B1 HISTAMINE RECEPTOR ANTAGONISTS COMPRISING AN AZEPIN CORE GLAXO GROUP LTD (GB) 2010-01-13 EP disclosed
US-20090181950-A1 Histamine Receptor Antagonists Comprising an Azepin Core GLAXO GROUP LIMITED (GB) 2009-07-16 US disclosed
EP-2027108-A1 HISTAMINE RECEPTOR ANTAGONISTS COMPRISING AN AZEPIN CORE Glaxo Group Limited (GB) 2009-02-25 EP disclosed
WO-2007135081-A1 HISTAMINE RECEPTOR ANTAGONISTS COMPRISING AN AZEPIN CORE GLAXO GROUP LIMITED (GB) 2007-11-29 WO 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 (1 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-20090181950-A1 Histamine Receptor Antagonists Comprising an Azepin Core HRH2, HRH1, HRH4 HTR2A 54/4885HTR2C 68/4885SLC6A4 1166/4885

“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.