SCHEMBL22135732

SCHEMBL22135732

COc1ccc(CN[C@@H]2CCCc3c2[nH]c2ccc(Br)cc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.55
KCNH2 Q12809 1/20 0.53
GAA P10253 1/20 0.49
CASP6 P55212 1/20 0.49
PRMT5 O14744 2/20 0.48
SIRT1 Q96EB6 1/20 0.47
DHODH Q02127 2/20 0.47
CDC42 P60953 1/20 0.45
BRD3 Q15059 6/20 0.45
MAPT P10636 3/20 0.42
ALDH1A1 P00352 1/20 0.42
HTR2B P41595 1/20 0.42
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL22135730 1.00 CYP2D6 (0.55) CYP2D6KCNH2GAACASP6PRMT5
SCHEMBL22135894 0.90 CYP2D6 (0.55) CYP2D6KCNH2GAACASP6PRMT5
SCHEMBL22135893 0.90 CYP2D6 (0.55) CYP2D6KCNH2GAACASP6PRMT5
SCHEMBL22135752 0.89 CYP2D6 (0.55) CYP2D6KCNH2GAACASP6PRMT5
SCHEMBL22135751 0.89 CYP2D6 (0.55) CYP2D6KCNH2GAACASP6PRMT5
SCHEMBL5428515 0.89 GAA (0.64) GAACASP6PRMT5SIRT1CDC42
SCHEMBL30454834 0.89 GAA (0.60) CYP2D6KCNH2GAACASP6PRMT5
SCHEMBL22135926 0.89 GAA (0.60) CYP2D6KCNH2GAACASP6PRMT5
SCHEMBL22135878 0.86 CYP2D6 (0.58) CYP2D6KCNH2GAACASP6PRMT5
SCHEMBL22135763 0.86 CYP2D6 (0.58) CYP2D6KCNH2GAACASP6PRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114173780-A Compounds for reducing the deleterious activity of genes containing extended nucleotide repeats 小利兰·斯坦福大学托管委员会 2022-03-11 CN disclosed
US-20220062233-A1 Compounds for the Reduction of the Deleterious Activity of Extended Nucleotide Repeat Containing Genes THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2022-03-03 US disclosed
WO-2020131573-A1 COMPOUNDS FOR THE REDUCTION OF THE DELETERIOUS ACTIVITY OF EXTENDED NUCLEOTIDE REPEAT CONTAINING GENES NUREDIS, INC. (US) 2020-06-25 WO 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-20220062233-A1 Compounds for the Reduction of the Deleterious Activity of Extended Nucleotide Repeat Containing Genes NSUN2, RTCB, RRM2B CYP2D6 3475/4885KCNH2 4714/4885GAA 1448/4885

“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.