SCHEMBL4867451

SCHEMBL4867451

CC(C)(O)CN1CCC(O/N=C(\c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2)c2ccc(F)cc2F)CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.37
MAPK11 Q15759 1/20 0.34
HSD11B1 P28845 1/20 0.33
DRD4 P21917 2/20 0.32
DRD3 P35462 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
TMEM97 Q5BJF2 1/20 0.32
GAA P10253 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL4867456 1.00 MAPK14 (0.37) MAPK14MAPK11HSD11B1DRD4DRD3
SCHEMBL4877778 0.91 MAPK14 (0.38) MAPK14MAPK11HSD11B1DRD4DRD3
SCHEMBL4877782 0.91 MAPK14 (0.38) MAPK14MAPK11HSD11B1DRD4DRD3
SCHEMBL4873293 0.89 MAPK14 (0.48) MAPK14MAPK11HSD11B1
SCHEMBL4873287 0.89 MAPK14 (0.48) MAPK14MAPK11HSD11B1
SCHEMBL4868846 0.88 DRD4 (0.37) MAPK14HSD11B1DRD4DRD3SIGMAR1
SCHEMBL4868838 0.88 DRD4 (0.37) MAPK14HSD11B1DRD4DRD3SIGMAR1
SCHEMBL4874582 0.88 MAPK14 (0.39) MAPK14HSD11B1SIGMAR1HTR2AHTR2C
SCHEMBL4879578 0.88 HSD11B1 (0.35) MAPK14HSD11B1GAAHTR2AHTR2C
SCHEMBL4874578 0.88 MAPK14 (0.39) MAPK14HSD11B1SIGMAR1HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080081825-A1 Nitrogen-Containing Heterocyclic Compounds and Medicinal Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-03 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 (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-20080081825-A1 Nitrogen-Containing Heterocyclic Compounds and Medicinal Use Thereof MAPK1, NOS1, NOS2 MAPK14 13/4885MAPK11 19/4885HSD11B1 544/4885

“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.