SCHEMBL863308

SCHEMBL863308

N#Cc1ccc2c(c1)CC1(CCCN3CCCCC3C1)O2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.42
MAP3K12 Q12852 3/20 0.39
CSF1R P07333 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
IRAK4 Q9NWZ3 4/20 0.39
HRH3 Q9Y5N1 8/20 0.38
ABCB1 P08183 1/20 0.36
SLC6A4 P31645 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
SCHEMBL863861 0.97 KCNH2 (0.42) KCNH2MAP3K12CSF1RMAPK8MAPK9
SCHEMBL863455 0.96 KCNH2 (0.45) KCNH2IRAK4HRH3
SCHEMBL864693 0.92 KCNH2 (0.46) KCNH2HRH3
SCHEMBL863414 0.92 HRH3 (0.38) KCNH2MAP3K12CSF1RMAPK8MAPK9
SCHEMBL863725 0.88 OTUD7B (0.37) KCNH2HRH3
SCHEMBL863982 0.87 HRH3 (0.40) KCNH2HRH3
SCHEMBL7856633 0.87 HRH3 (0.40) KCNH2HRH3
SCHEMBL7858469 0.87 HRH3 (0.40) KCNH2HRH3
SCHEMBL7856993 0.87 HRH3 (0.40) KCNH2HRH3
SCHEMBL7856996 0.87 HRH3 (0.40) KCNH2HRH3

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
US-20120077802-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-03-29 US disclosed
US-20120077802-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-03-29 US disclosed
US-20120077802-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-03-29 US disclosed
WO-2010144571-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-12-16 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-20120077802-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 KCNH2 605/4885MAP3K12 1799/4885CSF1R 1107/4885

“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.