SCHEMBL6005607

SCHEMBL6005607

CC(C)c1nc(C2CCC(CCN)CC2)n(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.33
AGTR2 P50052 4/20 0.33
PPARG P37231 1/20 0.33
AKT1 P31749 4/20 0.32
AKT2 P31751 4/20 0.32
ROCK2 O75116 2/20 0.32
PIM1 P11309 2/20 0.32
PRKACA P17612 2/20 0.32
CDK2 P24941 2/20 0.32
AURKA O14965 1/20 0.32
CHUK O15111 1/20 0.32
MAPK13 O15264 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
CHEK2 O96017 1/20 0.32
PRKCG P05129 1/20 0.32
CDK1 P06493 1/20 0.32
FGFR1 P11362 1/20 0.32
MARK3 P27448 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL6861143 0.93 AGTR1 (0.34) AGTR1AGTR2PPARGAKT1AKT2
SCHEMBL6004652 0.93 AGTR1 (0.33) AGTR1AGTR2PPARGAKT1AKT2
SCHEMBL6005821 0.90 AGTR1 (0.35) AGTR1AGTR2PPARGAKT1AKT2
SCHEMBL6006038 0.89 AGTR1 (0.38) AGTR1AGTR2PPARG
SCHEMBL6007898 0.89 AGTR1 (0.34) AGTR1AGTR2AKT1AKT2ROCK2
SCHEMBL6005602 0.88 AGTR1 (0.34) AGTR1AGTR2PPARGAKT1AKT2
SCHEMBL6007816 0.88 AGTR1 (0.36) AGTR1AGTR2AKT1AKT2ROCK2
SCHEMBL6008191 0.88 AGTR1 (0.34) AGTR1AGTR2AKT1AKT2ROCK2
SCHEMBL6008122 0.87 AGTR1 (0.35) AGTR1AGTR2AKT1AKT2ROCK2
SCHEMBL6859762 0.87 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 3/4885PPARG 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.