SCHEMBL6006757

SCHEMBL6006757

CCc1nc(C2CCC(C(=O)O)CC2)n(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.42
AGTR2 P50052 5/20 0.42
PPARG P37231 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR5 Q9H228 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL6007221 0.94 AGTR1 (0.41) AGTR1AGTR2PPARG
SCHEMBL6007163 0.92 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL6006983 0.91 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL6005815 0.91 AGTR1 (0.40) AGTR1AGTR2S1PR1S1PR5
SCHEMBL6007058 0.91 AGTR1 (0.46) AGTR1AGTR2PPARGS1PR1S1PR5
SCHEMBL6007950 0.90 AGTR1 (0.41) AGTR1AGTR2PPARGPTGDR2
SCHEMBL6004369 0.90 AGTR1 (0.39) AGTR1AGTR2PPARG
SCHEMBL6007139 0.89 AGTR1 (0.40) AGTR1AGTR2PPARGPTGDR2
SCHEMBL6007134 0.89 AGTR1 (0.40) AGTR1AGTR2PPARGPTGDR2
SCHEMBL6004385 0.88 AGTR1 (0.38) 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 3/4885PPARG 118/4885
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 3/4885PPARG 144/4885

“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.