SCHEMBL6833769

SCHEMBL6833769

CC(C)(C)c1nc2c(C(F)(F)F)nc3ccccc3c2n1CCC1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.39
CNR2 P34972 1/20 0.39
NPY1R P25929 2/20 0.38
SLC6A4 P31645 1/20 0.36
TLR7 Q9NYK1 2/20 0.35
MERTK Q12866 1/20 0.35
KHK P50053 3/20 0.35
ACP1 P24666 3/20 0.35
BRD4 O60885 2/20 0.34
CREBBP Q92793 2/20 0.34
ADRB2 P07550 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
TLR8 Q9NR97 1/20 0.33
SSTR4 P31391 1/20 0.33

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
SCHEMBL6840151 0.93 HTR4 (0.41) HTR4NPY1RSLC6A4TLR7MERTK
SCHEMBL6833713 0.85 NPY1R (0.39) HTR4NPY1RSLC6A4TLR7MERTK
SCHEMBL6840049 0.83 ALDH1A1 (0.38) HTR4NPY1RSLC6A4MERTKKHK
SCHEMBL6838758 0.83 ADORA3 (0.45) HTR4NPY1RTLR7ACP1ADRB2
SCHEMBL6833712 0.82 ADORA3 (0.46) HTR4NPY1RTLR7
SCHEMBL6840139 0.82 ACP1 (0.38) HTR4NPY1RTLR7MERTKACP1
SCHEMBL6833989 0.82 HTR4 (0.37) HTR4NPY1RSLC6A4TLR7MERTK
SCHEMBL6929019 0.82 NPY1R (0.43) HTR4NPY1RSLC6A4TLR7ACP1
SCHEMBL6838577 0.82 PDE6D (0.37) HTR4NPY1RTLR7MERTKACP1
SCHEMBL6833751 0.82 ACP1 (0.38) HTR4NPY1RTLR7MERTKACP1

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 HTR4 2764/4885CNR2 467/4885NPY1R 1070/4885

“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.