SCHEMBL2653015

SCHEMBL2653015

CCOC(=O)CCCOc1ccc(CI)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 10/20 0.56
BRD4 O60885 1/20 0.52
CYSLTR2 Q9NS75 1/20 0.52
CYSLTR1 Q9Y271 1/20 0.52
MAPT P10636 1/20 0.49
FAAH O00519 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL12549253 0.88 LTA4H (0.59) LTA4HBRD4CYSLTR2CYSLTR1MAPT
SCHEMBL2886166 0.86 LTA4H (0.57) LTA4HBRD4CYSLTR2CYSLTR1MAPT
SCHEMBL10726761 0.86 LTA4H (0.57) LTA4HBRD4CYSLTR2CYSLTR1SMN1; SMN2
SCHEMBL30257467 0.85 LTA4H (0.56) LTA4HBRD4CYSLTR2CYSLTR1MAPT
SCHEMBL7045164 0.84 BRD4 (0.54) LTA4HBRD4CYSLTR2CYSLTR1MAPT
SCHEMBL6937314 0.84 MEN1 (0.62) LTA4HBRD4CYSLTR2CYSLTR1MAPT
SCHEMBL8981963 0.83 BRD4 (0.56) LTA4HBRD4CYSLTR2CYSLTR1MAPT
SCHEMBL3466988 0.83 CYSLTR2 (0.59) LTA4HBRD4CYSLTR2CYSLTR1MAPT
SCHEMBL23582833 0.82 LTA4H (0.54) LTA4HBRD4CYSLTR2CYSLTR1
SCHEMBL13141141 0.82 LTA4H (0.54) LTA4HBRD4CYSLTR2CYSLTR1MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649009-B2 N-(trans-4-tert-butylcyclohexyl)-1-{4-[(1h-tetrazol-5-ylamino)carbonyl]benzyl }-3-(3,4,5-trifluoropbenyl)-1h-pyrazole-5-carboxamide; type 2 diabetes, hyperglycemia, diabetes or insulin resistance, Syndrome X, atherosclerosis MERCK & CO., INC. (US) 2010-01-19 US disclosed
EP-1765335-B1 PYRAZOLE AMIDE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2009-11-25 EP disclosed
EP-1765335-A4 PYRAZOLE AMIDE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2009-03-04 EP disclosed
US-20070203186-A1 Pyrazole Amide Derivatives, Compositions Containing Such Compounds And Methods Of Use MERCK & CO., INC. (US) 2007-08-30 US disclosed
EP-1765335-A2 PYRAZOLE AMIDE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 2007-03-28 EP disclosed
WO-2006017055-A2 PYRAZOLE AMIDE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2006-02-16 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 (1 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-20070203186-A1 Pyrazole Amide Derivatives, Compositions Containing Such Compounds And Methods Of Use AADAC, GOT2, GLS2 LTA4H 1645/4885BRD4 446/4885CYSLTR2 678/4885

“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.