SCHEMBL4286757

SCHEMBL4286757

O=CCC1CCc2c1[nH]c1ccc(F)cc21

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 15/20 0.52
HTR2C P28335 14/20 0.52
MAPKAPK2 P49137 1/20 0.49
BRD3 Q15059 4/20 0.48
HTR2B P41595 1/20 0.46

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
SCHEMBL13978314 0.84 HTR2A (0.53) HTR2AHTR2CMAPKAPK2
SCHEMBL5421567 0.83 S1PR1 (0.59) MAPKAPK2BRD3
SCHEMBL5088953 0.83 S1PR1 (0.59) MAPKAPK2BRD3
SCHEMBL30762338 0.83 S1PR1 (0.59) MAPKAPK2BRD3
SCHEMBL29141416 0.83 S1PR1 (0.59) MAPKAPK2BRD3
SCHEMBL4104217 0.82 HTR2A (0.62) HTR2AHTR2CMAPKAPK2BRD3HTR2B
SCHEMBL4105569 0.77 KMT2A (0.52) HTR2AHTR2CMAPKAPK2BRD3HTR2B
SCHEMBL9019672 0.76 BRD3 (0.60) MAPKAPK2BRD3
SCHEMBL6692543 0.75 S1PR1 (0.53) HTR2AHTR2CMAPKAPK2BRD3
SCHEMBL28503828 0.75 BRD3 (0.58) HTR2AHTR2CMAPKAPK2BRD3

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-20120115921-A1 FLUORO SUBSTITUTED CYCLOALKANOINDOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2012-05-10 US disclosed
US-20100081696-A1 FLUORO SUBSTITUTED CYCLOALKANOINDOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT BERTHELETTE CARL 2010-04-01 US disclosed
US-7618994-B2 Fluoro substituted cycloalkanoindoles, compositions containing such compounds and methods of treatment MERCK FROSST CANADA LTD. (CA) 2009-11-17 US disclosed
US-20090233977-A1 Method of Treating Atherosclerosis, dyslipidemias and related conditions MERCK SHARP & DOHME CORP. 2009-09-17 US disclosed
US-20080033028-A1 Fluoro substituted cycloalkanoindoles, compositions containing such compounds and methods of treatment BERTHELETTE CARL 2008-02-07 US 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 (4 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-20120115921-A1 FLUORO SUBSTITUTED CYCLOALKANOINDOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT PTGER1, PTGER3, PTGER2 HTR2A 310/4885HTR2C 317/4885MAPKAPK2 2712/4885
US-20080033028-A1 Fluoro substituted cycloalkanoindoles, compositions containing such compounds and methods of treatment PTGER1, PTGER3, PTGER2 HTR2A 310/4885HTR2C 317/4885MAPKAPK2 2712/4885
US-20090233977-A1 Method of Treating Atherosclerosis, dyslipidemias and related conditions LDLR, HCAR1, FFAR1 HTR2A 732/4885HTR2C 1937/4885MAPKAPK2 2091/4885
US-20100081696-A1 FLUORO SUBSTITUTED CYCLOALKANOINDOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT PTGER1, PTGER3, PTGER2 HTR2A 310/4885HTR2C 317/4885MAPKAPK2 2712/4885

“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.