SCHEMBL2799455

SCHEMBL2799455

CC(C)(C)OC(=O)NCC1CN(c2ccc(Br)c(F)c2)C(=O)O1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.55
MAOB P27338 5/20 0.55
LMNA P02545 1/20 0.55
PTGS1 P23219 1/20 0.55
CALML3 P27482 1/20 0.55
SDHA P31040 1/20 0.55
F10 P00742 7/20 0.53

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
SCHEMBL2799453 1.00 MAOA (0.55) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL1224398 0.91 MAOA (0.58) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL1224396 0.91 MAOA (0.58) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL12964559 0.90 MAOA (0.56) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL18402655 0.88 MAOA (0.55) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL13054755 0.87 MAOA (0.54) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL2799650 0.86 MAOA (0.53) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL2799645 0.86 MAOA (0.53) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL4573657 0.86 MAOA (0.70) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL4573661 0.86 MAOA (0.70) MAOAMAOBLMNAPTGS1CALML3

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 1142/4885MAOB 1618/4885LMNA 808/4885

“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.