SCHEMBL20994691

SCHEMBL20994691

CNC(=O)C1CN(CCNC(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.41
CACNA1H O95180 2/20 0.41
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
TSHR P16473 2/20 0.31
MAPK1 P28482 1/20 0.31
DPP4 P27487 2/20 0.30
LTA4H P09960 1/20 0.30
USP2 O75604 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL25156792 0.80 CACNA1H (0.37) CACNA1HCYP2D6KCNH2
SCHEMBL25156592 0.78 CACNA1H (0.36) CACNA1HCYP2D6KCNH2
SCHEMBL20996039 0.77 BCHE (0.44) BCHECHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL23936859 0.75 BCHE (0.45) BCHECHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL20996038 0.74 BCHE (0.40) BCHECHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL27285927 0.72 BCHE (0.43) BCHECHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL21423962 0.72 BCHE (0.49) BCHECHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL13683448 0.71 CACNA1H (0.40) CACNA1HCARM1PRMT6TSHRUSP2
SCHEMBL30747896 0.70 BCHE (0.41) BCHECHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL13346329 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11110177-B2 ASH1L degraders and methods of treatment therewith THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-09-07 US disclosed
US-20190142961-A1 ASH1L DEGRADERS AND METHODS OF TREATMENT THEREWITH THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-05-16 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 (2 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-11110177-B2 ASH1L degraders and methods of treatment therewith ASH1L, ASH2L, DOT1L BCHE 3849/4885CACNA1H 4498/4885CYP2D6 4416/4885
US-20190142961-A1 ASH1L DEGRADERS AND METHODS OF TREATMENT THEREWITH ASH1L, ASH2L, DOT1L BCHE 3849/4885CACNA1H 4498/4885CYP2D6 4416/4885

“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.