SCHEMBL3581553

SCHEMBL3581553

CC(C)(C)OC(=O)N1CCN(c2ccc(OCCCN3CCCCC3)cc2C#N)CC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.49
TLR7 Q9NYK1 1/20 0.49
HRH3 Q9Y5N1 9/20 0.48
NSD2 O96028 1/20 0.48
EHMT2 Q96KQ7 1/20 0.48
HRH1 P35367 4/20 0.48
GPR119 Q8TDV5 1/20 0.48
HRH2 P25021 3/20 0.48
MAOB P27338 2/20 0.47
EPHX2 P34913 2/20 0.46

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
SCHEMBL3576150 0.87 KDM4E (0.56) TLR9TLR7HRH3HRH1HRH2
SCHEMBL3587105 0.86 GPR119 (0.52) TLR9TLR7HRH3GPR119MAOB
SCHEMBL3583026 0.85 TLR9 (0.49) TLR9TLR7HRH3HRH1HRH2
SCHEMBL7246082 0.83 GPR119 (0.51) HRH3NSD2EHMT2HRH1GPR119
SCHEMBL3583360 0.83 KCNA5 (0.58) HRH3HRH1HRH2
SCHEMBL3579866 0.83 HRH3 (0.63) TLR9TLR7HRH3MAOBEPHX2
SCHEMBL7251887 0.82 HRH2 (0.52) HRH3HRH1GPR119HRH2EPHX2
SCHEMBL3579113 0.82 KDM4E (0.55) TLR9TLR7HRH3GPR119EPHX2
SCHEMBL3583116 0.81 HRH3 (0.61) TLR9TLR7HRH3HRH1HRH2
SCHEMBL7245807 0.80 HRH2 (0.71) HRH3HRH1GPR119HRH2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075953-A1 SUBSTITUTED PIPERAZINES, (1,4) DIAZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-03-25 US disclosed
EP-1567511-A1 SUBSTITUTED PIPERAZINES, (1,4) DIASZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004035556-A1 SUBSTITUTED PIPERAZINES, (1,4) DIASZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-04-29 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-20100075953-A1 SUBSTITUTED PIPERAZINES, (1,4) DIAZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS HRH3, HRH4, HRH2 TLR9 3850/4885TLR7 3589/4885HRH3 1/4885

“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.