SCHEMBL2852004

SCHEMBL2852004

CCc1cc(N2CCNCC2)c2nc(CCC(=O)OC)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.49
KCNH2 Q12809 4/20 0.49
HRH3 Q9Y5N1 4/20 0.49
ADRA1A P35348 3/20 0.49
HTR6 P50406 6/20 0.45
ADRA1B P35368 3/20 0.42
HTR1A P08908 3/20 0.42
DRD2 P14416 3/20 0.42
HTR2A P28223 3/20 0.42
DRD4 P21917 2/20 0.42
HTR2C P28335 2/20 0.42
DRD3 P35462 2/20 0.42
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AOC3 Q16853 1/20 0.34
CHEK1 O14757 2/20 0.34
USP25 Q9UHP3 1/20 0.34
HTR7 P34969 1/20 0.33

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
SCHEMBL2856703 0.91 HRH1 (0.52) HRH1KCNH2HRH3ADRA1AHTR6
SCHEMBL2850767 0.88 HRH1 (0.51) HRH1KCNH2HRH3ADRA1AHTR6
SCHEMBL2854561 0.83 HTR2A (0.47) HRH1KCNH2HRH3HTR6ADRA1B
SCHEMBL2852759 0.74 HTR6 (0.50) HRH1KCNH2HRH3HTR6HTR1A
SCHEMBL3911291 0.74 HRH1 (0.49) HRH1KCNH2HRH3ADRA1AADRA1B
SCHEMBL2851071 0.71 BACE1 (0.44) KCNH2
SCHEMBL3714317 0.70 HRH1 (0.42) HRH1KCNH2HTR2C
SCHEMBL3680077 0.69 NPC1 (0.44) KDM4EAOC3USP25
SCHEMBL3684659 0.69 USP28 (0.48) HRH3HTR6AOC3USP25HTR7
SCHEMBL3910456 0.69 HRH1 (0.35) HRH1KCNH2HRH3ADRA1AADRA1B

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 HRH1 2/4885KCNH2 808/4885HRH3 4/4885

“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.