SCHEMBL2798643

SCHEMBL2798643

CC(C)N1CCN=C1c1ccc(N2C[C@@H](C(N)=O)OC2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.41
CA1 P00915 7/20 0.35
CA2 P00918 7/20 0.35
CA4 P22748 7/20 0.35
CA7 P43166 7/20 0.35
PTGS2 P35354 3/20 0.34
F10 P00742 1/20 0.33
LRRK2 Q5S007 1/20 0.33

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
SCHEMBL2796421 0.85 MAOA (0.43) MAOACA1CA2CA4CA7
SCHEMBL2800260 0.83 MAOA (0.41) MAOACA1CA2CA4CA7
SCHEMBL2796446 0.83 TOP2A (0.48) MAOACA1CA2CA4CA7
SCHEMBL2798646 0.83 F10 (0.53) F10
SCHEMBL2796451 0.82 MAOA (0.42) MAOACA1CA2CA4CA7
SCHEMBL2800498 0.81 MAOA (0.41) MAOACA1CA2CA4CA7
SCHEMBL13232193 0.74 F10 (0.66) F10
SCHEMBL2798082 0.73 F10 (0.43) MAOAF10
SCHEMBL2800382 0.71 F10 (0.45) MAOAF10
SCHEMBL3038229 0.70 MAOA (0.53) MAOAF10

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-8288423-B2 FXa inhibitors with cyclic amidines as P4 subunit, processes for their preparations, and pharmaceutical compositions and derivatives thereof LEGOCHEM BIOSCIENCE LTD. (KR) 2012-10-16 US disclosed
US-20100184781-A1 FXA INHIBITORS WITH CYCLIC AMIDINES AS P4 SUBUNIT, PROCESSES FOR THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS AND DERIVATIVES THEREOF LEGOCHEM BIOSCIENCE LTD. (KR) 2010-07-22 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-20100184781-A1 FXA INHIBITORS WITH CYCLIC AMIDINES AS P4 SUBUNIT, PROCESSES FOR THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS AND DERIVATIVES THEREOF F12, F2, TFPI MAOA 1142/4885CA1 1198/4885CA2 2780/4885

“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.