SCHEMBL863659

SCHEMBL863659

c1cnc(-c2ccc3c(c2)CC2(CCN(C4CCC4)CC2)O3)cn1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.47
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
CYP2D6 P10635 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL863810 0.92 HRH3 (0.42) HRH3GSK3BDYRK1A
SCHEMBL11918482 0.92 HRH3 (0.57) HRH3CYP2D6KCNH2
SCHEMBL863302 0.81 HRH3 (0.43) HRH3
SCHEMBL863437 0.80 HRH3 (0.48) HRH3CYP2D6KCNH2
SCHEMBL864456 0.79 HRH3 (0.46) HRH3DYRK1ACYP2D6KCNH2
SCHEMBL864854 0.79 HRH3 (0.46) HRH3CYP2D6KCNH2
SCHEMBL2346808 0.79 HRH3 (0.45) HRH3CYP2D6KCNH2
SCHEMBL863670 0.78 HRH3 (0.44) HRH3CYP2D6KCNH2
SCHEMBL10191642 0.78 HRH3 (0.49) HRH3CYP2D6KCNH2
SCHEMBL10191663 0.78 HRH3 (0.43) HRH3

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 1/4885GSK3B 1333/4885DYRK1A 1340/4885

“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.