SCHEMBL22135751

SCHEMBL22135751

COc1cccc(CN[C@@H]2CCCc3c2[nH]c2ccc(Br)cc32)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.55
KCNH2 Q12809 1/20 0.53
CHRM4 P08173 2/20 0.49
DRD2 P14416 2/20 0.49
HTR7 P34969 2/20 0.49
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
CASP6 P55212 1/20 0.47
DHODH Q02127 1/20 0.47
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
CDC42 P60953 1/20 0.46
SIRT1 Q96EB6 1/20 0.45
PRMT5 O14744 2/20 0.44
BRD3 Q15059 4/20 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
SCHEMBL22135752 1.00 CYP2D6 (0.55) CYP2D6KCNH2CHRM4DRD2HTR7
SCHEMBL22135732 0.89 CYP2D6 (0.55) CYP2D6KCNH2ALDH1A1GAACASP6
SCHEMBL22135730 0.89 CYP2D6 (0.55) CYP2D6KCNH2ALDH1A1GAACASP6
SCHEMBL22135757 0.87 CYP2D6 (0.58) CYP2D6KCNH2GAACASP6DHODH
SCHEMBL4191954 0.86 CYP2D6 (0.70) CYP2D6KCNH2GAACASP6DHODH
SCHEMBL30455081 0.86 CYP2D6 (0.70) CYP2D6KCNH2GAACASP6DHODH
SCHEMBL22135733 0.86 CYP2D6 (0.70) CYP2D6KCNH2GAACASP6DHODH
SCHEMBL22118714 0.85 CYP2D6 (0.52) CYP2D6KCNH2GAACASP6DHODH
SCHEMBL22135801 0.85 CYP2D6 (0.52) CYP2D6KCNH2GAACASP6DHODH
SCHEMBL29478217 0.85 CYP2D6 (0.52) CYP2D6KCNH2GAACASP6DHODH

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 4714/4885CHRM4 4640/4885

“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.