SCHEMBL2104670

SCHEMBL2104670

CN1C2COCC1CC(CC(N)=O)C2

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.35
HTR3A P46098 13/20 0.34
CHRM2 P08172 2/20 0.32
CHRM1 P11229 2/20 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
SCHEMBL3913737 0.84 HTR3A (0.35) CHRM3HTR3ACHRM2CHRM1
SCHEMBL1922997 0.84 HTR3A (0.35) CHRM3HTR3ACHRM2CHRM1
SCHEMBL3915572 0.84 HTR3A (0.35) CHRM3HTR3ACHRM2CHRM1
SCHEMBL1923238 0.77 LMNA (0.36) HTR3A
SCHEMBL13714935 0.77 LMNA (0.36) HTR3A
SCHEMBL1698594 0.74
SCHEMBL14232024 0.71
SCHEMBL15030963 0.71
SCHEMBL3546248 0.68 LMNA (0.32)
SCHEMBL7293969 0.68 LMNA (0.32)

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-8163740-B2 6-substituted benzoxazines HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US 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 CHRM3 674/4885HTR3A 30/4885CHRM2 457/4885

“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.