SCHEMBL463676

SCHEMBL463676

CC(C)(C)OC(=O)N1CCN(c2nc3cc(F)c(Br)cc3nc2NN)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.42
KIT P10721 2/20 0.41
PIK3CA P42336 1/20 0.41
GPR6 P46095 1/20 0.41
GBA1 P04062 2/20 0.40
TLR9 Q9NR96 1/20 0.40
BACE1 P56817 1/20 0.40
MAP4K4 O95819 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
HTT P42858 1/20 0.39
PGK1 P00558 1/20 0.39
ALK Q9UM73 1/20 0.39
CXCR2 P25025 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OGFRL1 Q5TC84 1/20 0.38
SUV39H2 Q9H5I1 1/20 0.38
ACHE P22303 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL463633 0.87 KIT (0.41) KITGBA1TLR9MAP4K4GPR119
SCHEMBL463516 0.87 KIT (0.41) KITGBA1TLR9MAP4K4GPR119
SCHEMBL463618 0.85 KCNH2 (0.44) KCNH2KITPIK3CAGBA1TLR9
SCHEMBL12225206 0.82 KCNH2 (0.42) KCNH2KITGBA1TLR9BACE1
SCHEMBL12246101 0.82 KCNH2 (0.41) KCNH2KITGBA1TLR9BACE1
SCHEMBL13334813 0.80 SUV39H2 (0.42) KITGBA1TLR9BACE1MAP4K4
SCHEMBL14828914 0.79 KIT (0.43) KCNH2KITGBA1TLR9BACE1
SCHEMBL30389013 0.79 KIT (0.43) KCNH2KITGBA1TLR9BACE1
SCHEMBL2400302 0.77 PTPN11 (0.47) KCNH2KITGBA1TLR9BACE1
SCHEMBL13334835 0.77 CYP11B1 (0.35) GPR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 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 (3 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 KCNH2 630/4885KIT 219/4885PIK3CA 3950/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 KCNH2 630/4885KIT 219/4885PIK3CA 3950/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 KCNH2 630/4885KIT 219/4885PIK3CA 3950/4885

“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.