SCHEMBL3034097

SCHEMBL3034097

CC(N[C@H]1CC[N]C1)c1ccccc1N(C)C

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2D6 P10635 1/20 0.31

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
SCHEMBL2097524 0.76 GAA (0.62) GAAL3MBTL1CYP2D6
SCHEMBL2094380 0.69 MAPT (0.36) GAAL3MBTL1
SCHEMBL1490114 0.66
SCHEMBL5779479 0.65 MAOA (0.39)
SCHEMBL3893551 0.63 MAPT (0.41) GAAL3MBTL1
SCHEMBL5227537 0.63 GABRA1 (0.46) GAAL3MBTL1
SCHEMBL3778241 0.63
SCHEMBL6169776 0.62 GAA (0.50) GAAL3MBTL1CYP2D6
Hydrochloric Acid SCHEMBL2866667 0.62 GABRA1 (0.44) GAAL3MBTL1
SCHEMBL9838432 0.62

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-8222414-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2012-07-17 US disclosed
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2010-08-19 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-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF GAA 791/4885L3MBTL1 3088/4885CYP2D6 2472/4885

“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.