SCHEMBL2850767

SCHEMBL2850767

COC(=O)CCc1ccc2cc(Cc3ccccc3)cc(N3CCNCC3)c2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.51
KCNH2 Q12809 4/20 0.51
HRH3 Q9Y5N1 4/20 0.51
ADRA1A P35348 3/20 0.51
ADRA1B P35368 3/20 0.51
HTR6 P50406 6/20 0.40
TAAR1 Q96RJ0 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR1A P08908 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
BRD4 O60885 2/20 0.37
CREBBP Q92793 2/20 0.37
CHEK1 O14757 1/20 0.37
HTR2C P28335 1/20 0.36
MTNR1A P48039 1/20 0.36
ITGA2B P08514 1/20 0.36

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 0.88 HRH1 (0.49) HRH1KCNH2HRH3ADRA1AADRA1B
SCHEMBL2856703 0.86 HRH1 (0.52) HRH1KCNH2HRH3ADRA1AADRA1B
SCHEMBL2854561 0.82 HTR2A (0.47) HRH1KCNH2HRH3ADRA1BHTR6
SCHEMBL2853380 0.78 HRH3 (0.86) HRH1KCNH2HRH3ADRA1AADRA1B
SCHEMBL2878473 0.77 HRH1 (0.69) HRH1KCNH2HRH3ADRA1AADRA1B
SCHEMBL2848963 0.75 KDM4E (0.43) HRH1KCNH2HRH3ADRA1AADRA1B
SCHEMBL2848965 0.75 KDM4E (0.43) HRH1KCNH2HRH3ADRA1AADRA1B
SCHEMBL2852759 0.73 HTR6 (0.50) HRH1KCNH2HRH3HTR6KDM4E
SCHEMBL2851151 0.71 ADRA1A (0.51) HRH1KCNH2HRH3ADRA1AADRA1B
SCHEMBL3911291 0.69 HRH1 (0.49) 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.