SCHEMBL863293

SCHEMBL863293

CN1CCC(N2CCC3(CC2)Cc2cc(Br)ccc2O3)CC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.43
CYP2D6 P10635 1/20 0.42
KCNH2 Q12809 1/20 0.42
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL31515271 0.92 HRH3 (0.45) HRH3CYP2D6KCNH2DRD2HTR2A
SCHEMBL863799 0.90 HRH3 (0.51) HRH3CYP2D6KCNH2
SCHEMBL31515327 0.87 HDAC3 (0.43) DRD2
SCHEMBL863507 0.86 HRH3 (0.46) HRH3CYP2D6KCNH2
SCHEMBL863921 0.86 HRH3 (0.48) HRH3CYP2D6KCNH2
SCHEMBL10191702 0.86 HRH3 (0.43) HRH3CYP2D6KCNH2DRD2HTR2A
SCHEMBL31515297 0.86 HRH3 (0.42) HRH3CYP2D6KCNH2DRD2HTR2A
SCHEMBL863955 0.85 HRH3 (0.45) HRH3CYP2D6KCNH2
SCHEMBL10191794 0.82 HRH3 (0.41) HRH3CYP2D6KCNH2DRD2HTR2A
SCHEMBL863277 0.82 DRD2 (0.46) HRH3CYP2D6KCNH2DRD2HTR2A

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 1/4885CYP2D6 3260/4885KCNH2 605/4885

“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.