SCHEMBL4445006

SCHEMBL4445006

O=C(Nc1ccc(Cl)cn1)[C@H]1CNC[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1F

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 0.76

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
SCHEMBL14148523 1.00 F10 (1.00) F10KCNH2
SCHEMBL1027621 0.92 F10 (0.85) F10KCNH2
SCHEMBL2251421 0.92 F10 (0.85) F10KCNH2
SCHEMBL2253925 0.92 F10 (0.85) F10KCNH2
SCHEMBL1026247 0.90 F10 (0.81) F10KCNH2
SCHEMBL1029728 0.90 F10 (0.81) F10KCNH2
SCHEMBL1027783 0.89 F10 (0.80) F10KCNH2
SCHEMBL4442235 0.87 F10 (0.81) F10KCNH2
SCHEMBL4453417 0.86 F10 (1.00) F10KCNH2
SCHEMBL4444216 0.86 F10 (1.00) 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-7872141-B2 Processes for the manufacture of a pyrrolidine-3,4-dicarboxamide derivative HOFFMANN-LA ROCHE INC. (US) 2011-01-18 US disclosed
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
US-20080214826-A1 PROCESSES FOR THE MANUFACTURE OF A PYRROLIDINE-3,4-DICARBOXAMIDE DERIVATIVE HOFFMANN-LA ROCHE, INC. 2008-09-04 US disclosed
US-20080214826-A1 PROCESSES FOR THE MANUFACTURE OF A PYRROLIDINE-3,4-DICARBOXAMIDE DERIVATIVE HOFFMANN-LA ROCHE, INC. 2008-09-04 US 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

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-20080214826-A1 PROCESSES FOR THE MANUFACTURE OF A PYRROLIDINE-3,4-DICARBOXAMIDE DERIVATIVE ALDH18A1, CPS1, DHPS F10 2376/4885KCNH2 1869/4885

“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.