SCHEMBL21068423

SCHEMBL21068423

CCOC(=O)COC1CCN(CCCNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
CACNA1H O95180 1/20 0.39
GAA P10253 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37

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
SCHEMBL21105566 0.86 DRD2 (0.48) DRD2MEN1KMT2ASIGMAR1ACHE
SCHEMBL2010604 0.82 TSHR (0.53) MEN1KMT2AALDH1A1TSHRSIGMAR1
SCHEMBL2010392 0.80 ALDH1A1 (0.67) MEN1KMT2AALDH1A1TSHRSIGMAR1
SCHEMBL24817860 0.79 MEN1 (0.46) DRD2MEN1KMT2AALDH1A1TSHR
SCHEMBL22699069 0.78 DRD2 (0.54) DRD2MEN1KMT2ASIGMAR1ACHE
SCHEMBL18947871 0.78 DRD2 (0.54) DRD2MEN1KMT2ASIGMAR1TDP1
SCHEMBL24619896 0.78 DRD2 (0.54) DRD2MEN1KMT2ASIGMAR1ACHE
SCHEMBL829106 0.78 DRD2 (0.54) DRD2MEN1KMT2AALDH1A1TSHR
SCHEMBL8254760 0.78 DRD2 (0.64) DRD2MEN1KMT2AALDH1A1SIGMAR1
SCHEMBL6700 0.77 DRD2 (0.53) DRD2MEN1KMT2ASIGMAR1ACHE

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
EP-3727355-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER AstraZeneca AB (SE) 2020-10-28 EP disclosed
US-20190194190-A1 Compounds and Their Use in Treating Cancer ASTRAZENECA PHARMACEUTICALS LP 2019-06-27 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-20190194190-A1 Compounds and Their Use in Treating Cancer F12, CCNY, CCNE1 DRD2 162/4885MEN1 474/4885KMT2A 2404/4885

“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.