SCHEMBL6006315

SCHEMBL6006315

CC(C)CCc1nc(-c2ccc(CCC(=O)O)cc2)n(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.37
AGTR2 P50052 8/20 0.37
BRS3 P32247 1/20 0.36
GAA P10253 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
FFAR4 Q5NUL3 2/20 0.35
TP53 P04637 1/20 0.34
MDM2 Q00987 1/20 0.34
FFAR1 O14842 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
SCHEMBL6008415 0.93 AGTR1 (0.39) AGTR1AGTR2GAAPTGDR2FFAR4
SCHEMBL6007691 0.93 AGTR1 (0.38) AGTR1AGTR2BRS3PTGDR2
SCHEMBL6004300 0.91 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL6004709 0.91 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL6007826 0.90 AGTR1 (0.39) AGTR1AGTR2GAAPTGDR2
SCHEMBL6006313 0.89 AGTR1 (0.37) AGTR1AGTR2BRS3
SCHEMBL6007935 0.89 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL6006005 0.89 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL6007092 0.88 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL6008244 0.88 AGTR1 (0.39) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132437-B2 for example, 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 (US) 2006-11-07 US disclosed
US-20040220245-A1 for example, 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., 2004-11-04 US disclosed
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
US-5217985-A RENAL-SELECTIVE BIPHENYLALKYL 1H-SUBSTITUTED-1,2,4-TRIAZOLE ANGIOTENSIN II ANTAGONISTS FOR TREATMENT OF HYPERTENSION G. D. SEARLE & CO. (US) 1993-06-08 US disclosed
WO-1992004335-A2 RENAL-SELECTIVE BIPHENYLALKYL 1H-SUBSTITUTED-1,2,4-TRIAZOLE ANGIOTENSIN II ANTAGONISTS FOR TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-03-19 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 (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-20040220245-A1 for example, 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 AGTR1 2/4885AGTR2 3/4885BRS3 1098/4885
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 AGTR1 2/4885AGTR2 3/4885BRS3 932/4885

“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.