SCHEMBL863414

SCHEMBL863414

N#Cc1ccc(-c2ccc3c(c2)CC2(CCCN4CCCCC4C2)O3)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.38
OTUD7B Q6GQQ9 2/20 0.37
MCHR1 Q99705 2/20 0.37
KDM2B Q8NHM5 1/20 0.37
KCNH2 Q12809 3/20 0.36
CSF1R P07333 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
MAP3K12 Q12852 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
USP30 Q70CQ3 1/20 0.34

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
SCHEMBL863725 0.97 OTUD7B (0.37) HRH3OTUD7BMCHR1KDM2BKCNH2
SCHEMBL7856996 0.96 HRH3 (0.40) HRH3OTUD7BMCHR1KCNH2
SCHEMBL7856993 0.96 HRH3 (0.40) HRH3OTUD7BMCHR1KCNH2
SCHEMBL7856633 0.96 HRH3 (0.40) HRH3OTUD7BMCHR1KCNH2
SCHEMBL7858469 0.96 HRH3 (0.40) HRH3OTUD7BMCHR1KCNH2
SCHEMBL863982 0.96 HRH3 (0.40) HRH3OTUD7BMCHR1KCNH2
SCHEMBL863601 0.93 HRH3 (0.40) HRH3OTUD7BKCNH2USP30
SCHEMBL863308 0.92 KCNH2 (0.42) HRH3KCNH2CSF1RMAPK8MAPK9
SCHEMBL863667 0.89 HRH3 (0.45) HRH3KDM2BKCNH2
SCHEMBL863861 0.88 KCNH2 (0.42) HRH3KCNH2CSF1RMAPK8MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440563-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2012-04-18 EP 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
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
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 HRH3 1/4885OTUD7B 4390/4885MCHR1 151/4885

“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.