SCHEMBL6835218

SCHEMBL6835218

COc1ccc2c(c1)-c1c(nc(-c3cccnc3)n1O)CCC2

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.55
CYP11B2 P19099 15/20 0.47
CYP11B1 P15538 13/20 0.47
CYP19A1 P11511 7/20 0.44
CYP17A1 P05093 4/20 0.44
CYP2C9 P11712 1/20 0.43
CYP3A4 P08684 1/20 0.43
PDE7A Q13946 1/20 0.42
PDE3A Q14432 1/20 0.42
PDE10A Q9Y233 1/20 0.42

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
SCHEMBL6835176 0.88 NPY5R (0.51) NPY5RCYP2C9CYP3A4
SCHEMBL6831681 0.87 NPY5R (0.52) NPY5RCYP11B2CYP11B1CYP19A1CYP3A4
SCHEMBL6835215 0.87 NPY5R (0.53) NPY5RCYP11B2CYP11B1CYP19A1CYP17A1
SCHEMBL6834619 0.84 NPY5R (0.53) NPY5RCYP11B2CYP11B1
SCHEMBL6836938 0.82 NPY5R (0.48) NPY5RCYP11B2CYP11B1CYP19A1CYP17A1
SCHEMBL6835181 0.82 NPY5R (0.49) NPY5RCYP11B2CYP19A1CYP2C9CYP3A4
SCHEMBL6836913 0.80 NPY5R (0.55) NPY5RPDE10A
SCHEMBL6835192 0.74 NPY5R (0.50) NPY5RCYP11B2CYP19A1
SCHEMBL6834506 0.71 NPY5R (0.48) NPY5RCYP2C9
SCHEMBL7372635 0.71 CYP11B2 (0.52) CYP11B2CYP11B1CYP19A1CYP17A1CYP2C9

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-20040014753-A1 Novel interleukin-1beta converting enzyme inhibitors THE PROCTER & GAMBLE COMPANY 2004-01-22 US claimed
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 (2 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
US-20040014753-A1 Novel interleukin-1beta converting enzyme inhibitors IL1B, IL1RN, IL1R1 NPY5R 1700/4885CYP11B2 472/4885CYP11B1 331/4885

“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.