SCHEMBL863643

SCHEMBL863643

c1cn2cc(-c3ccc4c(c3)CC3(CCCN5CCCCC5C3)O4)ccc2n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRIM33 Q9UPN9 2/20 0.36
TRIM24 O15164 1/20 0.35
DYRK1A Q13627 2/20 0.35
HRH3 Q9Y5N1 4/20 0.35
FAAH O00519 1/20 0.35
TGFBR1 P36897 3/20 0.34
NAMPT P43490 2/20 0.34
CPT2 P23786 1/20 0.34
CPT1A P50416 1/20 0.34
CPT1B Q92523 1/20 0.34
USP30 Q70CQ3 1/20 0.33
GRM2 Q14416 1/20 0.33
AXL P30530 1/20 0.33
MERTK Q12866 1/20 0.33
SYK P43405 1/20 0.33

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
SCHEMBL863881 0.97 DYRK1A (0.36) TRIM33TRIM24DYRK1AHRH3FAAH
SCHEMBL7858589 0.96 HRH3 (0.38) TRIM33TRIM24DYRK1AHRH3FAAH
SCHEMBL7849203 0.96 HRH3 (0.38) TRIM33TRIM24DYRK1AHRH3FAAH
SCHEMBL863695 0.96 HRH3 (0.38) TRIM33TRIM24DYRK1AHRH3FAAH
SCHEMBL7859083 0.96 HRH3 (0.38) TRIM33TRIM24DYRK1AHRH3FAAH
SCHEMBL7849750 0.96 HRH3 (0.38) TRIM33TRIM24DYRK1AHRH3FAAH
SCHEMBL10191844 0.96 HRH3 (0.38) TRIM33TRIM24DYRK1AHRH3FAAH
SCHEMBL864935 0.94 HRH3 (0.39) TRIM33DYRK1AHRH3FAAH
SCHEMBL863574 0.90 HRH3 (0.43) HRH3
SCHEMBL863270 0.89 HRH3 (0.40) 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 TRIM33 4066/4885TRIM24 4537/4885DYRK1A 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.