SCHEMBL4453417

SCHEMBL4453417

COC(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cn2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 1.00
KCNH2 Q12809 1/20 0.79

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
SCHEMBL4444988 0.94 F10 (0.88) F10KCNH2
SCHEMBL5016622 0.90 F10 (0.81) F10KCNH2
SCHEMBL2251421 0.89 F10 (0.85) F10KCNH2
SCHEMBL2253925 0.89 F10 (0.85) F10KCNH2
SCHEMBL1027621 0.89 F10 (0.85) F10KCNH2
SCHEMBL4444216 0.89 F10 (1.00) F10KCNH2
SCHEMBL14148715 0.88 F10 (1.00) F10KCNH2
SCHEMBL1051324 0.88 F10 (1.00) F10KCNH2
SCHEMBL4447475 0.88 F10 (1.00) F10KCNH2
SCHEMBL4442235 0.88 F10 (0.81) F10KCNH2

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-7550487-B2 Pyrrolidine-3,4-dicarboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-06-23 US claimed
EP-1732918-B1 NOVEL PYRROLIDINE-3,4-DICARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-11-12 EP claimed
US-7550487-B2 Pyrrolidine-3,4-dicarboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-06-23 US disclosed
EP-1732918-B1 NOVEL PYRROLIDINE-3,4-DICARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-11-12 EP disclosed
EP-1732918-A1 NOVEL PYRROLIDINE-3,4-DICARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-12-20 EP disclosed
WO-2005092881-A1 NOVEL PYRROLIDINE-3,4-DICARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-10-06 WO disclosed
US-20050215599-A1 Pyrrolidine-3,4-dicarboxamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-09-29 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-20050215599-A1 Pyrrolidine-3,4-dicarboxamide derivatives F9, F2, F12 F10 7/4885KCNH2 902/4885

“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.