SCHEMBL6834619

SCHEMBL6834619

On1c(-c2cccnc2)nc2c1-c1cc(F)ccc1CCC2

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 5/20 0.53
CYP11B2 P19099 12/20 0.41
CYP11B1 P15538 9/20 0.41
TDO2 P48775 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA3 P34903 1/20 0.37
ADAM17 P78536 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
SCHEMBL6835215 0.88 NPY5R (0.53) NPY5RCYP11B2CYP11B1GABRA1GABRG2
SCHEMBL6567519 0.86 NPY5R (0.49) NPY5RCYP11B2CYP11B1
SCHEMBL6836938 0.85 NPY5R (0.48) NPY5RCYP11B2CYP11B1GABRA1GABRG2
SCHEMBL6835218 0.84 NPY5R (0.55) NPY5RCYP11B2CYP11B1
SCHEMBL6837099 0.79 NPY5R (0.53) NPY5R
SCHEMBL6834506 0.74 NPY5R (0.48) NPY5R
SCHEMBL6835192 0.74 NPY5R (0.50) NPY5RCYP11B2GABRA1GABRG2GABRB3
SCHEMBL6836929 0.73 NPY5R (0.69) NPY5RCYP11B2CYP11B1TDO2
SCHEMBL6831686 0.72 KDM4E (0.48) NPY5R
SCHEMBL6831684 0.72 NPY5R (0.45) NPY5RCYP11B2CYP11B1

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-20040198791-A1 Fused imidazole derivative FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-10-07 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-20040198791-A1 Fused imidazole derivative H1-0, H1-5, H1-3 NPY5R 983/4885CYP11B2 51/4885CYP11B1 67/4885

“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.