SCHEMBL22118719

SCHEMBL22118719

N#Cc1ccc(CN[C@@H]2CCCc3c2[nH]c2ccc(Br)cc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.55
▸ KCNH2 Q12809 1/20 0.51
▸ BRD3 Q15059 8/20 0.47
▸ GAA P10253 1/20 0.47
▸ CASP6 P55212 1/20 0.47
▸ DHODH Q02127 1/20 0.47
▸ CDC42 P60953 1/20 0.45
▸ PRMT5 O14744 2/20 0.44
▸ MAPT P10636 3/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL28731952 1.00 CYP2D6 (0.55) CYP2D6KCNH2BRD3GAACASP6
SCHEMBL22135763 0.86 CYP2D6 (0.58) CYP2D6KCNH2BRD3GAACASP6
SCHEMBL22135901 0.86 CYP2D6 (0.58) CYP2D6KCNH2BRD3GAACASP6
SCHEMBL4194096 0.86 CYP2D6 (0.58) CYP2D6KCNH2BRD3GAACASP6
SCHEMBL22135792 0.86 CYP2D6 (0.58) CYP2D6KCNH2BRD3GAACASP6
SCHEMBL22118689 0.86 CYP2D6 (0.58) CYP2D6KCNH2BRD3GAACASP6
SCHEMBL22135938 0.86 CYP2D6 (0.58) CYP2D6KCNH2BRD3GAACASP6
SCHEMBL22135878 0.86 CYP2D6 (0.58) CYP2D6KCNH2BRD3GAACASP6
SCHEMBL22135926 0.86 GAA (0.60) CYP2D6KCNH2BRD3GAACASP6
SCHEMBL22135863 0.86 CYP2D6 (0.58) CYP2D6KCNH2BRD3GAACASP6

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 5 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
EP-3897634-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 (US) 2021-10-27 — — EP 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
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 4714/4885BRD3 1392/4885

“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.

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