SCHEMBL4093180

SCHEMBL4093180

[C-]#[N+]c1ccc(N2C[C@H](CN3C(=O)c4ccccc4C3=O)OC2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 12/20 0.46
CYP2C9 P11712 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
SIGMAR1 Q99720 4/20 0.41
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL29950193 0.86 GRM2 (0.61) GRM2CYP2C9CYP1A2CYP2C19
SCHEMBL29950085 0.86 GRM2 (0.61) GRM2CYP2C9CYP1A2CYP2C19
SCHEMBL28849018 0.86 GRM2 (0.61) GRM2CYP2C9CYP1A2CYP2C19
SCHEMBL9823169 0.86 GRM2 (0.61) GRM2CYP2C9CYP1A2CYP2C19
SCHEMBL9823246 0.84 ALDH1A1 (0.53) GRM2CYP2C9CYP1A2CYP2C19SIGMAR1
SCHEMBL4761279 0.81 GRM2 (0.46) GRM2CYP2C9CYP1A2CYP2C19SIGMAR1
SCHEMBL4277020 0.81 GRM2 (0.57) GRM2CYP2C9CYP1A2CYP2C19
SCHEMBL16701320 0.79 CALML3 (0.49) GRM2CYP2C9CYP1A2CYP2C19CYP3A4
SCHEMBL16701317 0.79 CALML3 (0.49) GRM2CYP2C9CYP1A2CYP2C19CYP3A4
SCHEMBL4094183 0.78 F10 (0.59) GRM2

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-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-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

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-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 GRM2 4466/4885CYP2C9 62/4885CYP1A2 71/4885

“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.