SCHEMBL864935

SCHEMBL864935

c1cn2cc(-c3ccc4c(c3)CC3(CCN5CCCC5C3)O4)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.39
DYRK1A Q13627 2/20 0.36
FAAH O00519 1/20 0.35
TRIM33 Q9UPN9 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
SCHEMBL863695 0.97 HRH3 (0.38) HRH3DYRK1AFAAHTRIM33
SCHEMBL7859083 0.97 HRH3 (0.38) HRH3DYRK1AFAAHTRIM33
SCHEMBL7849203 0.97 HRH3 (0.38) HRH3DYRK1AFAAHTRIM33
SCHEMBL10191844 0.97 HRH3 (0.38) HRH3DYRK1AFAAHTRIM33
SCHEMBL7858589 0.97 HRH3 (0.38) HRH3DYRK1AFAAHTRIM33
SCHEMBL7849750 0.97 HRH3 (0.38) HRH3DYRK1AFAAHTRIM33
SCHEMBL863881 0.96 DYRK1A (0.36) HRH3DYRK1AFAAHTRIM33
SCHEMBL863643 0.94 TRIM33 (0.36) HRH3DYRK1AFAAHTRIM33
SCHEMBL860474 0.93 HRH3 (0.41) HRH3
SCHEMBL863825 0.92 HRH3 (0.45) 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 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 HRH3 1/4885DYRK1A 1340/4885FAAH 293/4885

“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.