SCHEMBL463516

SCHEMBL463516

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.41
ALK Q9UM73 3/20 0.41
TLR9 Q9NR96 1/20 0.40
MAP4K4 O95819 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
PGK1 P00558 1/20 0.39
HTT P42858 1/20 0.39
GBA1 P04062 2/20 0.38
PDK2 Q15119 1/20 0.38
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
MAPT P10636 1/20 0.37
SOS1 Q07889 1/20 0.37
NAMPT P43490 1/20 0.37

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 1.00 KIT (0.41) KITALKTLR9MAP4K4GPR119
SCHEMBL463676 0.87 KCNH2 (0.42) KITALKTLR9MAP4K4GPR119
SCHEMBL462869 0.85 GPR119 (0.43) KITALKTLR9MAP4K4GPR119
SCHEMBL463512 0.81 HRH4 (0.43)
SCHEMBL13334813 0.80 SUV39H2 (0.42) KITALKTLR9MAP4K4GPR119
SCHEMBL12246101 0.79 KCNH2 (0.41) KITALKTLR9MAP4K4GPR119
SCHEMBL13334888 0.79 GPR6 (0.34)
SCHEMBL405668 0.76 TLR9 (0.45) KITTLR9MAP4K4GPR119PGK1
SCHEMBL463615 0.76 KDM4E (0.48) GPR119HTTMAPT
SCHEMBL462854 0.76 USP2 (0.43) TLR9GPR119HTTGBA1OPRM1

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
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
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 KIT 219/4885ALK 1041/4885TLR9 410/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 KIT 219/4885ALK 1041/4885TLR9 410/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 KIT 219/4885ALK 1041/4885TLR9 410/4885

“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.