SCHEMBL5488774

SCHEMBL5488774

CCOc1c(C)nc2c(c1C)CN(CC(=O)c1ccc(OCC(=O)OC(=O)C(F)(F)F)c(C(C)(C)C)c1)C2=N

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2R P25116 7/20 0.36
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30

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
Trifluoroacetic Acid SCHEMBL5488769 0.90 F2R (0.38) F2RTHRATHRB
Bromide SCHEMBL1729409 0.88 F2R (0.39) F2RTHRATHRB
SCHEMBL1732890 0.88 F2R (0.35) F2R
Trifluoroacetic Acid SCHEMBL1732887 0.85 F2R (0.36) F2R
Bromide SCHEMBL5490223 0.84 F2R (0.40) F2RTHRATHRB
SCHEMBL1731655 0.84 F2R (0.35) F2R
SCHEMBL6544585 0.83 F2R (0.38) F2R
Bromide SCHEMBL1731229 0.82 F2R (0.39) F2R
SCHEMBL1731680 0.82 F2R (0.35) F2RTHRATHRB
SCHEMBL14449071 0.80 F2R (0.41) F2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed
US-20050245592-A1 2-Iminopyrrolidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 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-20050245592-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 F2R 2290/4885THRA 2030/4885THRB 2315/4885

“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.