SCHEMBL20102796

SCHEMBL20102796

CC1CN(C2=CCCN(c3ccc(/[N+](O)=N/c4ccc(N5CCC=C(N6CCOCC6)C5=O)cc4)cc3)C2=O)CCO1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NR3C2 P08235 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
SCHEMBL18058766 0.89 AKR1C3 (0.32) —
SCHEMBL20102793 0.86 GSK3B (0.35) NR3C2
SCHEMBL18040317 0.78 MAPT (0.37) —
SCHEMBL18040314 0.78 MAPT (0.37) —
SCHEMBL18058748 0.74 GSK3B (0.39) —
SCHEMBL20694863 0.74 GSK3B (0.39) —
SCHEMBL18058838 0.73 MEN1 (0.36) —
SCHEMBL18058759 0.72 S100A4 (0.34) —
SCHEMBL20709642 0.72 MAPT (0.32) —
SCHEMBL1995413 0.71 MAPT (0.50) —

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-10385049-B2 Dimer impurities of apixaban and method to remove them F.I.S.—Fabbrica Italiana Sintetici S.p.A. (IT) 2019-08-20 — — US disclosed
US-20180118737-A1 DIMER IMPURITIES OF APIXABAN AND METHOD TO REMOVE THEM F.I.S. - FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2018-05-03 — — 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 (2 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-10385049-B2 Dimer impurities of apixaban and method to remove them F2, FGB, F8 NR3C2 4402/4885
US-20180118737-A1 DIMER IMPURITIES OF APIXABAN AND METHOD TO REMOVE THEM F2, FGB, F8 NR3C2 4402/4885

“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.

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