SCHEMBL6893887

SCHEMBL6893887

CC(C)(C)OC(=O)N1CCCCC1Cc1nc2cc(Br)ccc2n1CCCO

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.39
HDAC8 Q9BY41 8/20 0.39
CHEK2 O96017 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FPR3 P25089 1/20 0.37
FPR2 P25090 1/20 0.37
PDE8B O95263 1/20 0.37
USP30 Q70CQ3 2/20 0.36
HPGD P15428 1/20 0.35
KDM1A O60341 1/20 0.35
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.34

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
SCHEMBL6896298 0.97 FPR3 (0.39) HDAC1HDAC8CHEK2L3MBTL1FPR3
SCHEMBL10298790 0.93 L3MBTL1 (0.45) HDAC1CHEK2L3MBTL1FPR3FPR2
SCHEMBL10011770 0.92 FPR3 (0.40) CHEK2L3MBTL1FPR3FPR2USP30
SCHEMBL6895983 0.92 FPR3 (0.40) CHEK2L3MBTL1FPR3FPR2USP30
SCHEMBL10012212 0.86 L3MBTL1 (0.39) CHEK2L3MBTL1FPR3FPR2THRB
SCHEMBL6894057 0.83 PARP1 (0.39) CHEK2L3MBTL1FPR3FPR2USP30
SCHEMBL6893810 0.82 FPR3 (0.40) CHEK2L3MBTL1FPR3FPR2PDE8B
SCHEMBL6893814 0.81 PARP1 (0.38) CHEK2L3MBTL1FPR3FPR2USP30
SCHEMBL10298674 0.80 FPR3 (0.41) CHEK2L3MBTL1FPR3FPR2PDE8B
SCHEMBL10011240 0.77 FPR3 (0.41) CHEK2L3MBTL1FPR3FPR2PDE8B

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
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
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
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 HDAC1 791/4885HDAC8 703/4885CHEK2 1838/4885
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 HDAC1 791/4885HDAC8 703/4885CHEK2 1838/4885

“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.