SCHEMBL2800221

SCHEMBL2800221

CC(C)(C)OC(=O)NCC1CN(c2ccc(C#N)cc2)C(=O)O1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.53
RORC P51449 1/20 0.46
F10 P00742 10/20 0.45
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
LMNA P02545 1/20 0.44
PTGS1 P23219 1/20 0.44
CALML3 P27482 1/20 0.44
SDHA P31040 1/20 0.44
AR P10275 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
SCHEMBL2800217 1.00 GRM2 (0.53) GRM2RORCF10MAOAMAOB
SCHEMBL2799650 0.84 MAOA (0.53) F10MAOAMAOBLMNAPTGS1
SCHEMBL2799645 0.84 MAOA (0.53) F10MAOAMAOBLMNAPTGS1
SCHEMBL14197146 0.82 MAOB (0.46) F10MAOAMAOBLMNAPTGS1
SCHEMBL9550280 0.82 GRM2 (0.56) GRM2F10MAOAMAOBLMNA
SCHEMBL20802077 0.82 F10 (0.54) F10MAOAMAOBLMNAPTGS1
SCHEMBL1224396 0.81 MAOA (0.58) F10MAOAMAOBLMNAPTGS1
SCHEMBL1224398 0.81 MAOA (0.58) F10MAOAMAOBLMNAPTGS1
SCHEMBL18779796 0.81 F10 (0.65) F10MAOAMAOBLMNAPTGS1
SCHEMBL14314011 0.81 F10 (0.65) F10MAOAMAOBLMNAPTGS1

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 GRM2 4803/4885RORC 4439/4885F10 4/4885

“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.