SCHEMBL21994173

SCHEMBL21994173

CCN1CCC(NC2CCCc3c2[nH]c2ccccc32)CC1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RB1 P06400 9/20 0.72
BRD3 Q15059 1/20 0.48
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
DRD4 P21917 1/20 0.44
DRD5 P21918 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
CDC42 P60953 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CYP2D6 P10635 1/20 0.42
CHRNA7 P36544 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
SCHEMBL4196380 0.83 RB1 (1.00) RB1BRD3MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL4162233 0.82 RB1 (1.00) RB1BRD3MEN1MAPTKMT2A
SCHEMBL5449886 0.81 RB1 (0.69) RB1BRD3MEN1MAPTKMT2A
SCHEMBL4188706 0.78 RB1 (0.78) RB1BRD3MEN1MAPTKMT2A
SCHEMBL15278227 0.77 GAA (0.54) RB1SIRT1CDC42CYP2D6
Hydrochloric Acid SCHEMBL4153425 0.77 RB1 (0.79) RB1BRD3MEN1MAPTKMT2A
SCHEMBL2320201 0.76 RB1 (0.70) RB1BRD3MEN1MAPTKMT2A
SCHEMBL15265267 0.76 MAPT (0.57) RB1MEN1MAPTKMT2ASIRT1
SCHEMBL4196304 0.76 RB1 (0.62) RB1BRD3SIRT2SIRT1CDC42
SCHEMBL15265369 0.75 CYP2D6 (0.60) RB1MEN1MAPTKMT2ACDC42

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 RB1 903/4885BRD3 1160/4885MEN1 4679/4885

“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.