SCHEMBL4094183

SCHEMBL4094183

[C-]#[N+]c1ccc(N2C[C@H](CN)OC2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.59
GRM2 Q14416 13/20 0.47

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
SCHEMBL14168239 0.83 F10 (0.66) F10GRM2
SCHEMBL3328770 0.81 F10 (0.63) F10GRM2
SCHEMBL12728922 0.81 GRM2 (0.64) F10GRM2
SCHEMBL15203256 0.81 GRM2 (0.64) F10GRM2
SCHEMBL9823520 0.81 F10 (0.63) F10GRM2
SCHEMBL28767300 0.81 F10 (0.63) F10GRM2
SCHEMBL5007547 0.80 GRM2 (0.69) F10GRM2
SCHEMBL3798210 0.80 GRM2 (0.69) F10GRM2
Hydrochloric Acid SCHEMBL9823521 0.79 F10 (0.61) F10GRM2
SCHEMBL78203 0.78 F10 (0.76) F10GRM2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637667-B2 Method for preparing (S)-5-chloro-N-((3-(4-(5,6-dihydro-4H-1,2,4-oxadiazin-3-yl)phenyl)-2-oxooxazolidin-5-yl)methyl)thiophene-2-carboxamide derivatives LEGOCHEM BIOSCIENCE LTD. (KR) 2014-01-28 US disclosed
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-20120108808-A1 METHOD FOR PREPARING (S)-5-CHLORO-N-((3-(4-(5,6-DIHYDRO-4H-1,2,4-OXADIAZIN-3-YL)PHENYL)-2-OXOOXAZOLIDIN-5-YL)METHYL)THIOPHENE-2-CARBOXAMIDE DERIVATIVES LEGOCHEM BIOSCIENCE LTD. (KR) 2012-05-03 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 (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-20100184781-A1 FXA INHIBITORS WITH CYCLIC AMIDINES AS P4 SUBUNIT, PROCESSES FOR THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS AND DERIVATIVES THEREOF F12, F2, TFPI F10 4/4885GRM2 4803/4885
US-20120108808-A1 METHOD FOR PREPARING (S)-5-CHLORO-N-((3-(4-(5,6-DIHYDRO-4H-1,2,4-OXADIAZIN-3-YL)PHENYL)-2-OXOOXAZOLIDIN-5-YL)METHYL)THIOPHENE-2-CARBOXAMIDE DERIVATIVES F2, F11, F5 F10 15/4885GRM2 4466/4885

“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.