SCHEMBL17286789

SCHEMBL17286789

CC(C)(C)N1CC(COP(=O)(O)O)OC1=O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
HTR2B P41595 1/20 0.40
TK1 P04183 4/20 0.37
MAOA P21397 1/20 0.35
GRM2 Q14416 2/20 0.33
FBP1 P09467 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL17287122 0.80 IRAK4 (0.38) TK1MAOAFBP1
SCHEMBL10504741 0.78 CA2 (0.42) CA2HTR2BMAOAGRM2MAPT
SCHEMBL22245078 0.77 FBP1 (0.36) TK1MAOAGRM2FBP1
SCHEMBL9489070 0.76 HTR2B (0.46) CA2HTR2BMAOAMAPT
SCHEMBL10368362 0.75 CA2 (0.47) CA2HTR2BMAOAGRM2MAPT
SCHEMBL14183559 0.75 CA2 (0.47) CA2HTR2BMAOAGRM2MAPT
SCHEMBL24225587 0.71 GRM2 (0.63) CA2HTR2BGRM2
SCHEMBL10504552 0.71 NPC1 (0.50) CA2HTR2BGRM2
SCHEMBL10504542 0.71 NPC1 (0.50) CA2HTR2BGRM2
SCHEMBL22238932 0.70 TK1 (0.32) TK1MAOA

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-9416144-B2 Benzoxazine oxazolidinone compound, preparation method and application thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2016-08-16 US disclosed
US-20150336984-A1 BENZOXAZINE OXAZOLIDINONE COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-11-26 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-20150336984-A1 BENZOXAZINE OXAZOLIDINONE COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF OXA1L, XDH, MYD88 CA2 2803/4885HTR2B 4711/4885TK1 2412/4885

“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.