SCHEMBL4479109

SCHEMBL4479109

CN1C[C@@H](NC(=O)c2ccc(Cl)s2)C[C@H]1C(=O)Nc1ccc(N2CCOCC2=O)cc1C#N

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.47
ABCB11 O95342 1/20 0.47
F2 P00734 1/20 0.47
ST14 Q9Y5Y6 1/20 0.47
CYP3A4 P08684 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2C9 P11712 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL14534487 0.90 F10 (0.39) F10ABCB11F2ST14CYP3A4
SCHEMBL4484919 0.89 F10 (0.42) F10ABCB11F2ST14CYP3A4
SCHEMBL13672294 0.89 F10 (0.42) F10ABCB11F2ST14CYP3A4
SCHEMBL4484924 0.89 F10 (0.42) F10ABCB11F2ST14CYP3A4
SCHEMBL13672295 0.85 F10 (0.47) F10ABCB11F2ST14CYP3A4
SCHEMBL4490804 0.85 F10 (0.61) F10ABCB11F2ST14
SCHEMBL13436082 0.83 F10 (0.47) F10ABCB11F2ST14CYP3A4
SCHEMBL4504777 0.82 F10 (0.56) F10
SCHEMBL4493649 0.82 F10 (0.56) F10
SCHEMBL13672300 0.82 F10 (0.56) F10

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-7601752-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-10-13 US claimed
US-20070112001-A1 Pyrrolidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-05-17 US claimed
US-7601752-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-10-13 US disclosed
US-7601752-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-10-13 US disclosed
WO-2007057317-A1 NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF COAGULATION FACTOR XA F. HOFFMANN-LA ROCHE AG (CH) 2007-05-24 WO disclosed
US-20070112001-A1 Pyrrolidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-05-17 US disclosed
US-20070112001-A1 Pyrrolidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-05-17 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-20070112001-A1 Pyrrolidine derivatives F12, F2, F11 F10 7/4885ABCB11 798/4885F2 2/4885

“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.