SCHEMBL23573288

SCHEMBL23573288

O=C(O)NC1CCN(C2CCCC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
HSD17B10 Q99714 1/20 0.56
SIGMAR1 Q99720 6/20 0.51
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ACKR3 P25106 5/20 0.46
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM3 P20309 1/20 0.43
HTT P42858 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
SCHEMBL3369574 0.96 POLB (0.51) POLBHSD17B10SIGMAR1MEN1KMT2A
SCHEMBL22208127 0.92 POLB (0.46) POLBHSD17B10SIGMAR1MEN1KMT2A
SCHEMBL4702651 0.89 POLB (0.45) POLBHSD17B10SIGMAR1HRH3
SCHEMBL3272642 0.84 SIGMAR1 (0.51) POLBHSD17B10SIGMAR1MEN1KMT2A
SCHEMBL3272638 0.84 SIGMAR1 (0.51) POLBHSD17B10SIGMAR1MEN1KMT2A
SCHEMBL22191535 0.84 SIGMAR1 (0.48) POLBHSD17B10SIGMAR1MEN1KMT2A
SCHEMBL15190856 0.84 SIGMAR1 (0.51) POLBHSD17B10SIGMAR1MEN1KMT2A
SCHEMBL21847058 0.83 ALDH1A1 (0.46) POLBHSD17B10SIGMAR1
SCHEMBL4442585 0.83 EPHX1 (0.47) POLBHSD17B10SIGMAR1ACKR3CHRM5
SCHEMBL854472 0.83 HTR4 (0.45) POLBHSD17B10SIGMAR1HRH3

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 POLB 1763/4885HSD17B10 2865/4885SIGMAR1 2464/4885

“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.