SCHEMBL23573243

SCHEMBL23573243

O=C(O)NC1CCN(C(=O)NC2CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.57
POLB P06746 3/20 0.53
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
DPP7 Q9UHL4 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
CYP46A1 Q9Y6A2 1/20 0.43
MAPT P10636 1/20 0.42
EPHX1 P07099 1/20 0.42

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
SCHEMBL23573528 0.90 HTT (0.72) HTTPOLBKDM4EALDH1A1MAPK1
SCHEMBL23573223 0.82 HTT (0.61) HTTPOLBKDM4EALDH1A1MAPK1
SCHEMBL23573566 0.82 HTT (0.61) HTTPOLBKDM4EALDH1A1MAPK1
SCHEMBL23573222 0.82 HTT (0.61) HTTPOLBKDM4EALDH1A1MAPK1
SCHEMBL10156627 0.82 HTT (0.55) HTTPOLBKDM4EALDH1A1MAPK1
SCHEMBL4560498 0.80 HTT (0.76) HTTPOLBKDM4EALDH1A1MAPK1
SCHEMBL5201039 0.80 HTT (0.83) HTTPOLBKDM4EALDH1A1MAPK1
SCHEMBL6539120 0.79 EPHX2 (0.65) EPHX1
SCHEMBL12859653 0.79 MAPK1 (0.66) HTTPOLBKDM4EALDH1A1MAPK1
SCHEMBL23573522 0.79 EPHX1 (0.42) HTTPOLBALDH1A1PKMTSHR

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-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2021-07-01 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-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR ENTPD5, ADORA2A, ENTPD1 HTT 2799/4885POLB 1763/4885KDM4E 2880/4885

“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.