SCHEMBL20745976

SCHEMBL20745976

COC1CN(c2nccc(CO)n2)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.43
NR1H2 P55055 1/20 0.41
SORD Q00796 6/20 0.38
EGFR P00533 1/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
HCRTR1 O43613 6/20 0.36
HCRTR2 O43614 6/20 0.36
AOC3 Q16853 1/20 0.35
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL20745928 0.83 NR1H2 (0.39) NR1H2SORDEGFRHCRTR1HCRTR2
SCHEMBL20745099 0.82 EGFR (0.37) ACACBNR1H2SORDEGFRAOC3
SCHEMBL20745392 0.80 NR1H2 (0.40) NR1H2SORDHCRTR1HCRTR2
SCHEMBL31434276 0.79 SORD (0.41) NR1H2SORDHCRTR1HCRTR2
SCHEMBL22320481 0.77 NR1H2 (0.39) NR1H2SORDHCRTR1HCRTR2
SCHEMBL30068037 0.77 ACACB (0.41) ACACBEGFRKCNQ3KCNQ2HCRTR1
SCHEMBL20745292 0.77 NR1H2 (0.36) NR1H2SORDHCRTR1HCRTR2
SCHEMBL20745039 0.77 NR1H2 (0.36) NR1H2SORDHCRTR1HCRTR2
SCHEMBL20745396 0.77 DYRK1A (0.39) NR1H2SORDHCRTR1HCRTR2
SCHEMBL20745400 0.77 HCRTR2 (0.39) NR1H2SORDHCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112739343-A Macrocyclic MCL-1 inhibitors and methods of use 艾伯维公司 2021-04-30 CN disclosed
US-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2020-08-13 US disclosed
EP-3668504-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE AbbVie Inc. (US) 2020-06-24 EP disclosed
WO-2019035914-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC. (US) 2019-02-21 WO 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-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 ACACB 3994/4885NR1H2 3570/4885SORD 4665/4885

“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.