SCHEMBL6859784

SCHEMBL6859784

CCC(C)c1nc(Cc2ccc(N)cc2)n(Cc2ccc(-c3ccccc3)c(-c3nnn[nH]3)c2)n1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.32
AGTR1 P30556 3/20 0.32
AGTR2 P50052 2/20 0.32
MERTK Q12866 1/20 0.31
PDE5A O76074 1/20 0.31

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
SCHEMBL6005597 0.91 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9739932 0.88 CNR2 (0.33) CNR2AGTR1
SCHEMBL9552061 0.84 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL6005759 0.84 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL6007411 0.83 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL6008036 0.83 AGTR1 (0.37) CNR2AGTR1AGTR2
SCHEMBL9552291 0.81 AGTR1 (0.39) CNR2AGTR1AGTR2
SCHEMBL9552133 0.81 P2RY6 (0.30) CNR2
SCHEMBL6004672 0.81 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL6006876 0.81 AGTR1 (0.42) AGTR1AGTR2

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-20040121989-A1 such as methyl 4'-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl][1,1'-biphenyl]-2-carboxylate; for treatment of congestive heart failure G.D. SEARLE & CO. 2004-06-24 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-20040121989-A1 such as methyl 4'-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl][1,1'-biphenyl]-2-carboxylate; for treatment of congestive heart failure GLS, AGTR1, AGTR2 CNR2 819/4885AGTR1 2/4885AGTR2 3/4885

“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.