SCHEMBL6893858

SCHEMBL6893858

CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)Nc1cc(Br)ccc1NCCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 1/20 0.45
FPR2 P25090 1/20 0.45
KMT2A Q03164 2/20 0.42
USP30 Q70CQ3 3/20 0.42
LMNA P02545 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
TP53 P04637 2/20 0.37
GLA P06280 1/20 0.37
OPRD1 P41143 1/20 0.37
UCHL1 P09936 2/20 0.36
AAK1 Q2M2I8 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM1A O60341 1/20 0.36
PRMT5 O14744 1/20 0.36

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
SCHEMBL16495526 1.00 FPR3 (0.45) FPR3FPR2KMT2AUSP30LMNA
SCHEMBL1462832 0.95 FPR3 (0.44) FPR3FPR2KMT2AUSP30LMNA
SCHEMBL6894084 0.92 FPR3 (0.41) FPR3FPR2KMT2AUSP30LMNA
SCHEMBL1463623 0.83 FPR3 (0.48) FPR3FPR2KMT2AUSP30LMNA
SCHEMBL12755436 0.80 FPR2 (0.61) FPR3FPR2KMT2AALDH1A1MEN1
SCHEMBL6895447 0.80 FPR3 (0.46) FPR3FPR2KMT2AUSP30LMNA
SCHEMBL30725638 0.76 FPR3 (0.42) FPR3FPR2KMT2AUSP30LMNA
SCHEMBL30074871 0.76 FPR3 (0.42) FPR3FPR2KMT2AUSP30LMNA
SCHEMBL29036527 0.76 FPR3 (0.42) FPR3FPR2KMT2AUSP30LMNA
SCHEMBL26714386 0.76 FPR3 (0.42) FPR3FPR2KMT2AUSP30LMNA

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
WO-2011031818-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO disclosed
WO-2011031816-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

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-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof HRH3, HRH4, HRH2 FPR3 538/4885FPR2 957/4885KMT2A 512/4885

“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.