SCHEMBL798784

SCHEMBL798784

CC(C)c1nc2c(o1)N(C(C)C)CC2

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
GRM5 P41594 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
SCHEMBL14925545 0.80 GAA (0.41) GAA
SCHEMBL14925543 0.76 GAA (0.38) GAA
SCHEMBL14925537 0.72 GAA (0.38) GAA
SCHEMBL25718334 0.66 GAA (0.35) GAA
SCHEMBL798450 0.64 GRM5 (0.31) GRM5
SCHEMBL14925526 0.64 CYP3A4 (0.49) GAAGRM5
SCHEMBL14925533 0.62 GAA (0.33) GAA
SCHEMBL19131072 0.61
SCHEMBL798461 0.61 GRM5 (0.33) GRM5
SCHEMBL14925524 0.61 GAA (0.31) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 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 (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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 GAA 1336/4885GRM5 4414/4885

“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.