SCHEMBL863725

SCHEMBL863725

N#Cc1ccc(-c2ccc3c(c2)CC2(CCCN4CCCC4C2)O3)cc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OTUD7B Q6GQQ9 2/20 0.37
KDM2B Q8NHM5 1/20 0.37
USP30 Q70CQ3 1/20 0.37
KCNH2 Q12809 4/20 0.37
HRH3 Q9Y5N1 11/20 0.36
MCHR1 Q99705 2/20 0.35
EGLN2 Q96KS0 1/20 0.35

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
SCHEMBL863414 0.97 HRH3 (0.38) OTUD7BKDM2BUSP30KCNH2HRH3
SCHEMBL863601 0.96 HRH3 (0.40) OTUD7BUSP30KCNH2HRH3
SCHEMBL7856633 0.93 HRH3 (0.40) OTUD7BKCNH2HRH3MCHR1
SCHEMBL7856993 0.93 HRH3 (0.40) OTUD7BKCNH2HRH3MCHR1
SCHEMBL7858469 0.93 HRH3 (0.40) OTUD7BKCNH2HRH3MCHR1
SCHEMBL863982 0.93 HRH3 (0.40) OTUD7BKCNH2HRH3MCHR1
SCHEMBL7856996 0.93 HRH3 (0.40) OTUD7BKCNH2HRH3MCHR1
SCHEMBL863861 0.91 KCNH2 (0.42) KCNH2HRH3
SCHEMBL863667 0.90 HRH3 (0.45) KDM2BKCNH2HRH3
SCHEMBL863308 0.88 KCNH2 (0.42) 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 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 OTUD7B 4390/4885KDM2B 2209/4885USP30 3762/4885

“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.