SCHEMBL6833699

SCHEMBL6833699

Fc1ccc2c(c1)nc(C(F)(F)F)c1nc(C3CCCCC3)n(CCN3CCNCC3)c12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.37
KCNH2 Q12809 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A2 P23975 2/20 0.36
ADORA3 P0DMS8 1/20 0.35
SLC6A3 Q01959 1/20 0.35
ADRA1D P25100 2/20 0.34
TDO2 P48775 1/20 0.33
POLB P06746 1/20 0.33
CCR3 P51677 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
HTR4 Q13639 1/20 0.32
CHRM1 P11229 1/20 0.32
HRH1 P35367 1/20 0.32
DRD2 P14416 1/20 0.32
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL6838547 0.99 SLC6A4 (0.36) ACHEKCNH2SLC6A4SLC6A2ADORA3
SCHEMBL6839979 0.90 ADRB2 (0.35) KCNH2SLC6A4SLC6A2ADORA3HRH4
SCHEMBL6837640 0.90 ADORA3 (0.38) KCNH2ADORA3HRH4HRH3NOS1
SCHEMBL6840039 0.89 ADRB2 (0.36) KCNH2SLC6A4SLC6A2ADORA3HRH4
SCHEMBL6838003 0.89 ADORA3 (0.37) KCNH2ADORA3HRH4HRH3NOS1
SCHEMBL6833984 0.88 ADORA3 (0.37) KCNH2SLC6A4SLC6A2ADORA3CCR3
SCHEMBL6838083 0.87 ADORA3 (0.36) KCNH2SLC6A4SLC6A2ADORA3CCR3
SCHEMBL6838392 0.82 SLC6A2 (0.37) ACHEKCNH2SLC6A4SLC6A2ADORA3
SCHEMBL6834018 0.81 SLC6A2 (0.38) KCNH2SLC6A4SLC6A2ADORA3SLC6A3
SCHEMBL6833822 0.80 PARP1 (0.38) ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040054182-A1 1h-imidazopyridine derivatives HOKURIKU SEIYAKU CO., LTD. (JP) 2004-03-18 US disclosed
EP-1256582-A1 1H-IMIDAZOPYRIDINE DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2002-11-13 EP 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-20040054182-A1 1h-imidazopyridine derivatives IL2, IL1A, IL4 ACHE 3705/4885KCNH2 383/4885SLC6A4 3973/4885

“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.