SCHEMBL6838696

SCHEMBL6838696

FC(F)(F)c1nc2ccccc2c2c1nc(-c1ccccc1)n2CCCC1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 3/20 0.40
AVPR2 P30518 3/20 0.39
AVPR1A P37288 3/20 0.39
TLR7 Q9NYK1 2/20 0.38
HTR4 Q13639 1/20 0.37
ACP1 P24666 3/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
MERTK Q12866 1/20 0.35
PDE6D O43924 1/20 0.35
SLC6A4 P31645 1/20 0.34
ADRB2 P07550 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL6833713 0.94 NPY1R (0.39) NPY1RAVPR2AVPR1ATLR7HTR4
SCHEMBL6840139 0.89 ACP1 (0.38) NPY1RTLR7HTR4ACP1MERTK
SCHEMBL6833751 0.89 ACP1 (0.38) NPY1RAVPR2AVPR1ATLR7HTR4
SCHEMBL6838577 0.89 PDE6D (0.37) NPY1RAVPR2AVPR1ATLR7HTR4
SCHEMBL6840049 0.89 ALDH1A1 (0.38) NPY1RAVPR2AVPR1AHTR4ACP1
SCHEMBL6840122 0.88 NPY1R (0.36) NPY1RAVPR2AVPR1ATLR7HTR4
SCHEMBL7493132 0.86 ACP1 (0.38) NPY1RAVPR2AVPR1AACP1MERTK
SCHEMBL6838389 0.85 ACP1 (0.46) NPY1RHTR4ACP1PDE6D
SCHEMBL6833817 0.85 KHK (0.38) NPY1RAVPR2AVPR1AHTR4MERTK
SCHEMBL6833986 0.85 AVPR2 (0.35) NPY1RAVPR2AVPR1AHTR4ACP1

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 NPY1R 1070/4885AVPR2 1213/4885AVPR1A 1016/4885

“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.