SCHEMBL6895463

SCHEMBL6895463

c1cn2cc(-c3ccc4c(c3)nc3n4CC4CCC(C3)N4C3CCC3)ccc2n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.40
FAAH O00519 1/20 0.39
TRIM33 Q9UPN9 2/20 0.34
TRIM24 O15164 1/20 0.34
USP30 Q70CQ3 2/20 0.33
TGFBR1 P36897 5/20 0.32
CPT2 P23786 1/20 0.32
CPT1A P50416 1/20 0.32
CPT1B Q92523 1/20 0.32
SYK P43405 2/20 0.32
MGLL Q99685 1/20 0.31
DGAT2 Q96PD7 1/20 0.31
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
NFKB1 P19838 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MAT2A P31153 1/20 0.30

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
SCHEMBL10298605 0.84 USP30 (0.31) USP30
SCHEMBL6893794 0.82 DYRK1A (0.40) DYRK1AFAAHTRIM33TRIM24USP30
SCHEMBL6895980 0.82 DYRK1A (0.40) DYRK1AFAAHTRIM33TRIM24USP30
SCHEMBL6895811 0.82 DYRK1A (0.40) DYRK1AFAAHTRIM33TRIM24USP30
SCHEMBL6893796 0.82 DYRK1A (0.40) DYRK1AFAAHTRIM33TRIM24USP30
SCHEMBL6893939 0.82 DYRK1A (0.40) DYRK1AFAAHTRIM33TRIM24USP30
SCHEMBL6893765 0.82 MAPT (0.39) DYRK1AFAAHTRIM33TRIM24USP30
SCHEMBL6893867 0.82 DYRK1A (0.39) DYRK1AFAAHTRIM33TRIM24USP30
SCHEMBL6895923 0.82 MAPT (0.39) DYRK1AFAAHTRIM33TRIM24USP30
SCHEMBL6895219 0.82 MAPT (0.39) DYRK1AFAAHTRIM33TRIM24USP30

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 US disclosed
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 US disclosed
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 US disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 US disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 US disclosed
WO-2011031818-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 US disclosed
WO-2011031816-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 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 (2 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-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof HRH3, HRH4, HRH2 DYRK1A 1227/4885FAAH 246/4885TRIM33 3050/4885
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 DYRK1A 1227/4885FAAH 246/4885TRIM33 3050/4885

“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.