SCHEMBL21998620

SCHEMBL21998620

CC(C)NC1CCCc2c1[nH]c1ccc(OC(C)C)cc21

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.57
KCNH2 Q12809 1/20 0.57
SIRT1 Q96EB6 3/20 0.51
BRD3 Q15059 6/20 0.50
MAPT P10636 2/20 0.47
ALOX15 P16050 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
CASP6 P55212 1/20 0.47
MAPK1 P28482 1/20 0.47
PRMT5 O14744 2/20 0.47
MEN1 O00255 1/20 0.46
GLA P06280 1/20 0.46
KMT2A Q03164 1/20 0.46
CDC42 P60953 1/20 0.43
RB1 P06400 1/20 0.43
MAPKAPK2 P49137 1/20 0.42
RECQL P46063 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42

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
SCHEMBL21996119 0.87 RB1 (0.60) CYP2D6KCNH2SIRT1BRD3MAPT
SCHEMBL21998621 0.84 CYP2D6 (0.53) CYP2D6KCNH2SIRT1BRD3MAPT
SCHEMBL21998622 0.83 GAA (0.67) CYP2D6KCNH2SIRT1BRD3MAPT
SCHEMBL21996157 0.83 CYP2D6 (0.79) CYP2D6KCNH2BRD3MAPTALOX15
SCHEMBL21994103 0.81 CDC42 (0.55) CYP2D6KCNH2SIRT1BRD3GAA
SCHEMBL15278222 0.77 CYP2D6 (0.55) CYP2D6KCNH2SIRT1BRD3MAPT
SCHEMBL16433472 0.77 SIRT1 (0.63) CYP2D6KCNH2SIRT1BRD3MAPT
SCHEMBL21156055 0.76 CYP2D6 (0.78) CYP2D6KCNH2SIRT1BRD3MAPT
SCHEMBL25293518 0.76 CYP2D6 (0.72) CYP2D6KCNH2BRD3MAPTALOX15
SCHEMBL30454869 0.76 CYP2D6 (0.72) CYP2D6KCNH2BRD3MAPTALOX15

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-20200147069-A1 Compounds for The Reduction of The Deleterious Activity of Extended Nucleotide Repeat Containing Genes THE BOARD OF TRUSTEES OF LELAND STANFORD JUNIOR UNIVERSITY 2020-05-14 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-20200147069-A1 Compounds for The Reduction of The Deleterious Activity of Extended Nucleotide Repeat Containing Genes NSUN2, RNMT, RRM2B CYP2D6 3849/4885KCNH2 4403/4885SIRT1 1148/4885

“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.