SCHEMBL6006960

SCHEMBL6006960

CCCCc1nc(C(=O)CCC)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.38
HCAR2 Q8TDS4 5/20 0.37
HCAR3 P49019 2/20 0.37
ALDH1A1 P00352 1/20 0.35
PARP1 P09874 1/20 0.35
DDX3X O00571 1/20 0.34
GPR84 Q9NQS5 5/20 0.33

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
SCHEMBL6007194 0.78 ALDH1A1 (0.42) MAPTTSHRHCAR2HCAR3ALDH1A1
SCHEMBL28824352 0.72 HCAR2 (0.43) MAPTHCAR2HCAR3
SCHEMBL4771122 0.69 MAPT (0.41) MAPTTSHRHCAR2HCAR3ALDH1A1
SCHEMBL6006239 0.69 MAPT (0.41) MAPTTSHRHCAR2HCAR3ALDH1A1
SCHEMBL6007325 0.67 MAPT (0.41) MAPTTSHRHCAR2HCAR3ALDH1A1
SCHEMBL6006775 0.67 MAPT (0.41) MAPTTSHRHCAR2HCAR3ALDH1A1
SCHEMBL534950 0.67 ALDH1A1 (0.66) MAPTTSHRALDH1A1
SCHEMBL6004530 0.67 MAPT (0.41) MAPTTSHRHCAR2HCAR3ALDH1A1
SCHEMBL26107571 0.67 MAPT (0.41) MAPTTSHRHCAR2HCAR3ALDH1A1
SCHEMBL7325204 0.67 MAPT (0.41) MAPTTSHRALDH1A1PARP1GPR84

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
EP-0527851-B1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS SEARLE & CO (US) 1998-12-23 EP 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 MAPT 4850/4885TSHR 1498/4885HCAR2 93/4885
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 MAPT 4832/4885TSHR 1491/4885HCAR2 84/4885

“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.