SCHEMBL6893810

SCHEMBL6893810

CC(C)(C)OC(=O)N1CCCC1Cn1c(CCO)nc2cc(Br)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
USP30 Q70CQ3 2/20 0.39
PDE8B O95263 1/20 0.38
CHEK2 O96017 1/20 0.38
KMT2A Q03164 1/20 0.37
CNR2 P34972 1/20 0.37
NOD2 Q9HC29 1/20 0.37
NOD1 Q9Y239 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
PPARG P37231 1/20 0.37
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BRD4 O60885 1/20 0.36
GPR119 Q8TDV5 2/20 0.36
POLB P06746 1/20 0.36
IL1B P01584 1/20 0.36
P2RX7 Q99572 1/20 0.36
UCHL1 P09936 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL10298674 0.91 FPR3 (0.41) FPR3FPR2USP30PDE8BCHEK2
SCHEMBL6896445 0.90 FPR3 (0.38) FPR3FPR2USP30PDE8BCHEK2
SCHEMBL10011240 0.88 FPR3 (0.41) FPR3FPR2USP30PDE8BCHEK2
SCHEMBL10011770 0.86 FPR3 (0.40) FPR3FPR2USP30CHEK2KMT2A
SCHEMBL6895983 0.86 FPR3 (0.40) FPR3FPR2USP30CHEK2KMT2A
SCHEMBL6895937 0.85 PARP1 (0.40) FPR3FPR2CNR2L3MBTL1LMNA
SCHEMBL6896298 0.84 FPR3 (0.39) FPR3FPR2USP30CHEK2KMT2A
SCHEMBL6893887 0.82 HDAC1 (0.39) FPR3FPR2USP30PDE8BCHEK2
SCHEMBL10298790 0.78 L3MBTL1 (0.45) FPR3FPR2USP30PDE8BCHEK2
SCHEMBL6897297 0.75 CNR2 (0.38) CHEK2CNR2L3MBTL1LMNANPSR1

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
WO-2011031816-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO 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
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 US 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 FPR3 538/4885FPR2 957/4885USP30 2831/4885
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 FPR3 538/4885FPR2 957/4885USP30 2831/4885

“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.