SCHEMBL6837698

SCHEMBL6837698

Cc1ccc2c(c1)nc(C(F)(F)F)c1nc(C3CCCC3)n(CCC3CNCCO3)c12

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.33
SLC6A2 P23975 10/20 0.31
SLC6A4 P31645 9/20 0.31
CYP2D6 P10635 2/20 0.31
HRH1 P35367 2/20 0.31
KCNH2 Q12809 2/20 0.31
SLC6A3 Q01959 6/20 0.31
EPHA2 P29317 1/20 0.30
CYP3A4 P08684 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL6837680 0.99 ADORA3 (0.34) ADORA3SLC6A2SLC6A4CYP2D6HRH1
SCHEMBL6834018 0.91 SLC6A2 (0.38) ADORA3SLC6A2SLC6A4HRH1KCNH2
SCHEMBL6837706 0.90 ADORA3 (0.36) ADORA3SLC6A2SLC6A4SLC6A3EPHA2
SCHEMBL6838392 0.90 SLC6A2 (0.37) ADORA3SLC6A2SLC6A4HRH1KCNH2
SCHEMBL6837810 0.89 ADORA3 (0.37) ADORA3SLC6A2SLC6A4SLC6A3EPHA2
SCHEMBL6840005 0.86 ADORA3 (0.35) ADORA3HRH1NOS1NOS2
SCHEMBL6833816 0.85 ADORA3 (0.37) ADORA3HRH1NOS1NOS2NPC1
SCHEMBL6837682 0.85 GRIN1 (0.35) SLC6A2SLC6A4CYP2D6HRH1KCNH2
SCHEMBL6838736 0.85 SSTR4 (0.38) ADORA3SLC6A2SLC6A4SLC6A3
SCHEMBL6840155 0.84 SSTR4 (0.38) ADORA3SLC6A2SLC6A4SLC6A3

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 ADORA3 3201/4885SLC6A2 4336/4885SLC6A4 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.