SCHEMBL21533085

SCHEMBL21533085

CN[C@@H](C)C(=O)Nc1ccc(CN)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLG P00747 5/20 0.51
KLK1 P06870 4/20 0.51
KLK6 Q92876 4/20 0.51
XIAP P98170 1/20 0.48
BIRC2 Q13490 1/20 0.48
KLKB1 P03952 7/20 0.46
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.44
F9 P00740 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TPSAB1 Q15661 2/20 0.43
PRSS1 P07477 1/20 0.43
SPHK1 Q9NYA1 1/20 0.43

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
SCHEMBL21350543 0.85 CRHBP (0.55) XIAPBIRC2MAPTNPC1RAB9A
SCHEMBL2642980 0.84 CA12 (0.57) PLGKLK1KLK6MAPTF9
SCHEMBL12285446 0.84 PLG (0.44) PLGKLK1KLK6KLKB1PKM
SCHEMBL22593900 0.83 MAPT (0.60) XIAPBIRC2MAPTNPC1RAB9A
SCHEMBL14435680 0.83 XIAP (0.48) XIAPBIRC2MAPTPKMNPC1
SCHEMBL24086454 0.83 MAPT (0.60) XIAPBIRC2MAPTNPC1RAB9A
SCHEMBL21229646 0.81 SMN1; SMN2 (0.47) XIAPBIRC2MAPTNPC1RAB9A
SCHEMBL20150736 0.80 MAPT (0.67) XIAPBIRC2MAPTNPC1RAB9A
SCHEMBL12677519 0.80 CA1 (0.63) PLGKLK1KLK6NPC1RAB9A
SCHEMBL12205991 0.80 CA1 (0.63) PLGKLK1KLK6NPC1RAB9A

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-20190328899-A1 AMANITIN ANTIBODY CONJUGATES HEIDELBERG PHARMA RESEARCH GMBH (DE) 2019-10-31 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-20190328899-A1 AMANITIN ANTIBODY CONJUGATES B2M, CD22, ADM2 PLG 2243/4885KLK1 1929/4885KLK6 1507/4885

“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.