SCHEMBL7491016

SCHEMBL7491016

CCCCc1n[nH]c(=O)n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 7/20 0.76
AGTR1 P30556 6/20 0.76
ACHE P22303 1/20 0.57

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
SCHEMBL9032647 0.90 AGTR1 (0.61) AGTR2AGTR1ACHE
SCHEMBL8392990 0.81 AGTR1 (0.76) AGTR2AGTR1
SCHEMBL7444657 0.81 AGTR1 (0.55) AGTR2AGTR1ACHE
SCHEMBL440 0.80 AGTR2 (0.61) AGTR2AGTR1
SCHEMBL7305298 0.80 AGTR1 (0.58) AGTR2AGTR1
SCHEMBL7308185 0.80 AGTR1 (0.54) AGTR2AGTR1ACHE
SCHEMBL9007507 0.80 ACHE (0.53) AGTR2AGTR1ACHE
SCHEMBL8392609 0.80 AGTR1 (0.59) AGTR2AGTR1
SCHEMBL1256252 0.79 AGTR2 (0.66) AGTR2AGTR1
SCHEMBL7311709 0.79 AGTR1 (0.54) AGTR2AGTR1

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-20010020100-A1 N-substituted-1, 2, 4-triazolone compounds for treatment of cardiovascular disorders G.D. SEARLE & CO. (US) 2001-09-06 US disclosed
WO-1991018888-A1 N-SUBSTITUTED-1,2,4-TRIAZOLONE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-12-12 WO 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-20010020100-A1 N-substituted-1, 2, 4-triazolone compounds for treatment of cardiovascular disorders NR3C2, AGTR1, PAH AGTR2 8/4885AGTR1 2/4885ACHE 4223/4885

“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.