SCHEMBL21996157

SCHEMBL21996157

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

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.79
KCNH2 Q12809 1/20 0.79
DHODH Q02127 1/20 0.57
MAPT P10636 4/20 0.54
BRD3 Q15059 4/20 0.51
GAA P10253 1/20 0.51
CASP6 P55212 1/20 0.51
ALOX15 P16050 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
GLA P06280 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPK1 P28482 2/20 0.48
PRMT5 O14744 1/20 0.47
CDC42 P60953 1/20 0.46
RB1 P06400 3/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
BAZ2B Q9UIF8 1/20 0.46

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
SCHEMBL30454869 0.93 CYP2D6 (0.72) CYP2D6KCNH2DHODHMAPTBRD3
SCHEMBL25293518 0.93 CYP2D6 (0.72) CYP2D6KCNH2DHODHMAPTBRD3
SCHEMBL25784195 0.93 CYP2D6 (0.72) CYP2D6KCNH2DHODHMAPTBRD3
SCHEMBL25293517 0.93 CYP2D6 (0.72) CYP2D6KCNH2DHODHMAPTBRD3
SCHEMBL4152259 0.89 CYP2D6 (1.00) CYP2D6KCNH2DHODHMAPTBRD3
SCHEMBL4199175 0.89 CYP2D6 (1.00) CYP2D6KCNH2DHODHMAPTBRD3
SCHEMBL4166009 0.89 CYP2D6 (1.00) CYP2D6KCNH2DHODHMAPTBRD3
SCHEMBL22135750 0.89 CYP2D6 (1.00) CYP2D6KCNH2DHODHMAPTBRD3
SCHEMBL4188755 0.89 CYP2D6 (1.00) CYP2D6KCNH2DHODHMAPTBRD3
SCHEMBL4197054 0.89 CYP2D6 (1.00) CYP2D6KCNH2DHODHMAPTBRD3

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 4403/4885DHODH 427/4885

“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.