SCHEMBL8366144

SCHEMBL8366144

CN(C(=O)c1ccc(-n2ncc3ccccc32)cc1)C1CCNC1Cl

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KHK P50053 4/20 0.42
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
HRH3 Q9Y5N1 12/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PTAFR P25105 1/20 0.37
KCNH2 Q12809 3/20 0.36
PLA2G10 O15496 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
SCHEMBL3671798 0.82 KHK (0.51) KHKMGAMGAASIMGAM2
SCHEMBL3666625 0.80 SLC6A4 (0.47) KHKHRH3KCNH2
SCHEMBL3737493 0.80 SLC6A4 (0.47) KHKHRH3KCNH2
SCHEMBL4937472 0.76 HRH3 (0.58) HRH3PTAFRKCNH2
SCHEMBL4945186 0.75 HRH3 (0.59) HRH3KCNH2
SCHEMBL3733490 0.75 HRH3 (0.59) HRH3KCNH2
SCHEMBL3722716 0.74 HRH3 (0.66) HRH3KCNH2
SCHEMBL3725620 0.74 PTAFR (0.44) KHKHRH3PTAFRKCNH2
SCHEMBL4944613 0.73 HRH3 (0.68) HRH3KCNH2
SCHEMBL4945837 0.73 HRH3 (0.68) HRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293771-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-11-27 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-20080293771-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 KHK 4389/4885MGAM 4390/4885GAA 1132/4885

“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.