SCHEMBL863582

SCHEMBL863582

c1cc2c(cc1CN1CCCC1)OC1(CCN(C3CCC3)CC1)C2

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL3 Q96JM7 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MBTD1 Q05BQ5 1/20 0.42
TP53BP1 Q12888 1/20 0.42
TSHR P16473 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
SCHEMBL10191645 0.99 MEN1 (0.45) HRH3MEN1KMT2AL3MBTL3L3MBTL1
SCHEMBL863268 0.92 HRH3 (0.47) HRH3MEN1KMT2ATSHR
SCHEMBL864437 0.91 HRH3 (0.48) HRH3
SCHEMBL7847171 0.86 HRH3 (0.45) HRH3
SCHEMBL10191862 0.84 MEN1 (0.45) HRH3MEN1KMT2AL3MBTL3L3MBTL1
SCHEMBL863860 0.83 HRH3 (0.52) HRH3
SCHEMBL864728 0.83 HRH3 (0.44) HRH3
SCHEMBL10192274 0.80 MEN1 (0.43) HRH3MEN1KMT2AL3MBTL3L3MBTL1
SCHEMBL10192272 0.80 MEN1 (0.43) HRH3MEN1KMT2AL3MBTL3L3MBTL1
SCHEMBL863829 0.80 HRH3 (0.46) HRH3MEN1KMT2AL3MBTL3L3MBTL1

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 1/4885MEN1 1150/4885KMT2A 559/4885

“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.