SCHEMBL2798690

SCHEMBL2798690

N#Cc1ccc(N2C[C@@H](C(N)=O)OC2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.52
MAOA P21397 2/20 0.49
SIRT2 Q8IXJ6 2/20 0.40
SIRT1 Q96EB6 2/20 0.40
FADS1 O60427 2/20 0.40
POLB P06746 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL7460584 0.89 GRM2 (0.52) GRM2MAOAFADS1HDAC1HDAC8
SCHEMBL8892005 0.87 GRM2 (0.51) GRM2MAOAFADS1HDAC1HDAC8
SCHEMBL5762328 0.80 GRM2 (0.53) GRM2MAOASIRT2SIRT1FADS1
SCHEMBL2795377 0.79 MAOA (0.60) MAOASIRT2SIRT1FADS1
SCHEMBL2800366 0.79 MAOA (0.49) MAOA
SCHEMBL8948817 0.77 GRM2 (0.65) GRM2MAOA
SCHEMBL8948639 0.77 GRM2 (0.65) GRM2MAOA
SCHEMBL2798691 0.77 GRM2 (0.65) GRM2
SCHEMBL13515441 0.77 MAOA (0.55) MAOAPOLBALDH1A1
SCHEMBL7237979 0.77 GRM2 (0.65) GRM2MAOA

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 3 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
WO-2008140220-A1 FXA INHIBITORS WITH CYCLIC AMIDINES AS P4 SUBUNIT, PROCESSES FOR THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS AND DERIVATIVES THEREOF LEGOCHEM BIOSCIENCE LTD. (KR) 2008-11-20 WO 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 4803/4885MAOA 1142/4885SIRT2 3394/4885

“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.