SCHEMBL21998621

SCHEMBL21998621

CCCOc1ccc2[nH]c3c(c2c1)CCCC3NC(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.53
KCNH2 Q12809 1/20 0.53
PRMT5 O14744 2/20 0.53
HTR1D P28221 2/20 0.47
HTR1B P28222 2/20 0.47
GAA P10253 1/20 0.47
CASP6 P55212 1/20 0.47
SIRT1 Q96EB6 1/20 0.45
BRD3 Q15059 6/20 0.44
MAPT P10636 2/20 0.43
ALOX15 P16050 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.43
CDC42 P60953 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 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
SCHEMBL21996145 0.86 RB1 (0.58) CYP2D6PRMT5HTR1DHTR1BGAA
SCHEMBL21996131 0.85 RB1 (0.58) CYP2D6PRMT5HTR1DHTR1BGAA
SCHEMBL21996536 0.85 GAA (0.67) PRMT5HTR1DHTR1BGAACASP6
SCHEMBL21998620 0.84 CYP2D6 (0.57) CYP2D6KCNH2PRMT5GAACASP6
SCHEMBL21998616 0.83 PRMT5 (0.54) CYP2D6KCNH2PRMT5HTR1DHTR1B
SCHEMBL21998617 0.81 PRMT5 (0.57) CYP2D6KCNH2PRMT5HTR1DHTR1B
SCHEMBL21996157 0.79 CYP2D6 (0.79) CYP2D6KCNH2PRMT5GAACASP6
SCHEMBL21998622 0.79 GAA (0.67) CYP2D6KCNH2PRMT5GAACASP6
SCHEMBL31497463 0.76 PRMT5 (0.57) PRMT5HTR1DHTR1BGAACASP6
SCHEMBL15278222 0.73 CYP2D6 (0.55) CYP2D6KCNH2PRMT5GAACASP6

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 4403/4885PRMT5 691/4885

“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.