SCHEMBL6005989

SCHEMBL6005989

CCC#Cc1nc(C(=O)CC2CCCCC2)nn1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 1/20 0.42
AGTR1 P30556 8/20 0.42
AGTR2 P50052 8/20 0.42
BRS3 P32247 3/20 0.42
PPARG P37231 1/20 0.41

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
SCHEMBL6004943 0.88 LTB4R2 (0.45) LTB4R2AGTR1AGTR2
SCHEMBL6007854 0.87 AGTR1 (0.49) LTB4R2AGTR1AGTR2BRS3
SCHEMBL6005633 0.87 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL6007921 0.85 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL6004807 0.85 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL6007982 0.85 AGTR1 (0.48) AGTR1AGTR2PPARG
SCHEMBL6006899 0.85 AGTR1 (0.49) AGTR1AGTR2BRS3
SCHEMBL6006789 0.84 LTB4R2 (0.47) LTB4R2AGTR1AGTR2BRS3
SCHEMBL6004415 0.84 AGTR1 (0.51) LTB4R2AGTR1AGTR2PPARG
SCHEMBL9528264 0.84 AGTR1 (0.36) AGTR1AGTR2PPARG

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 7 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
EP-0527851-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1993-02-24 EP 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
WO-1991017148-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-11-14 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 LTB4R2 1696/4885AGTR1 2/4885AGTR2 3/4885
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 LTB4R2 1667/4885AGTR1 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.