SCHEMBL6895983

SCHEMBL6895983

CC(C)(C)OC(=O)N1CCC[C@H]1Cc1nc2cc(Br)ccc2n1CCO

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
USP30 Q70CQ3 3/20 0.39
CHEK2 O96017 1/20 0.38
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
BRD4 O60885 1/20 0.36
GPR119 Q8TDV5 2/20 0.36
ALOX5AP P20292 2/20 0.36
FEN1 P39748 1/20 0.36
POLB P06746 1/20 0.36
UCHL1 P09936 2/20 0.35
GRM2 Q14416 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CNR1 P21554 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
SCHEMBL10011770 1.00 FPR3 (0.40) FPR3FPR2USP30CHEK2KMT2A
SCHEMBL6896298 0.95 FPR3 (0.39) FPR3FPR2USP30CHEK2KMT2A
SCHEMBL6893887 0.92 HDAC1 (0.39) FPR3FPR2USP30CHEK2KMT2A
SCHEMBL10298790 0.89 L3MBTL1 (0.45) FPR3FPR2USP30CHEK2KMT2A
SCHEMBL6893810 0.86 FPR3 (0.40) FPR3FPR2USP30CHEK2KMT2A
SCHEMBL6893814 0.85 PARP1 (0.38) FPR3FPR2USP30CHEK2KMT2A
SCHEMBL6894057 0.84 PARP1 (0.39) FPR3FPR2USP30CHEK2L3MBTL1
SCHEMBL10298674 0.84 FPR3 (0.41) FPR3FPR2USP30CHEK2KMT2A
SCHEMBL10012212 0.81 L3MBTL1 (0.39) FPR3FPR2CHEK2L3MBTL1
SCHEMBL10011240 0.81 FPR3 (0.41) FPR3FPR2USP30CHEK2KMT2A

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
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 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.