SCHEMBL3357795

SCHEMBL3357795

NC(=O)C1OC(NC2CCc3cc(F)ccc32)=Nc2cc[c]cc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.36
TRPV1 Q8NER1 8/20 0.35
IDO1 P14902 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
PDE10A Q9Y233 2/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
SCN3A Q9NY46 1/20 0.30
BDKRB1 P46663 1/20 0.30

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
SCHEMBL2780825 0.87 AURKA (0.39) CA1CA2
SCHEMBL2780555 0.81 ADRA2A (0.44) HDAC6
SCHEMBL3358172 0.80 ACHE (0.35) CA1CA2
SCHEMBL1924125 0.77 HDAC6 (0.40) HDAC6TRPV1IDO1
SCHEMBL2799990 0.76 JAK2 (0.31)
SCHEMBL3356170 0.76 JAK2 (0.31)
SCHEMBL13505029 0.76 TRPM8 (0.37)
SCHEMBL3360272 0.72 PRKCI (0.36)
SCHEMBL3428700 0.70 AURKA (0.40) HDAC6TRPV1CA12CA1CA2
SCHEMBL3231755 0.69 AURKA (0.39) CA1CA2

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
EP-2328880-B1 6-SUBSTITUTED BENZOXAZINES AS 5-HT-5A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-10-31 EP claimed
US-20100063037-A1 6-SUBSTITUTED BENZOXAZINES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-11 US claimed
EP-2328880-B1 6-SUBSTITUTED BENZOXAZINES AS 5-HT-5A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-10-31 EP disclosed
US-20100063037-A1 6-SUBSTITUTED BENZOXAZINES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-11 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-20100063037-A1 6-SUBSTITUTED BENZOXAZINES HTR5A, NPY5R, GABRA5 HDAC6 735/4885TRPV1 514/4885IDO1 1843/4885

“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.