SCHEMBL20745396

SCHEMBL20745396

OCc1ccnc(N2C[C@H]3C[C@@H](C2)C3O)n1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.39
NR1H2 P55055 1/20 0.39
HCRTR2 O43614 11/20 0.37
HCRTR1 O43613 10/20 0.37
SORD Q00796 6/20 0.36
RBP4 P02753 1/20 0.35

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
SCHEMBL20745395 1.00 DYRK1A (0.39) DYRK1ANR1H2HCRTR2HCRTR1SORD
SCHEMBL20745400 0.85 HCRTR2 (0.39) NR1H2HCRTR2HCRTR1SORD
SCHEMBL20745392 0.83 NR1H2 (0.40) DYRK1ANR1H2HCRTR2HCRTR1SORD
SCHEMBL20745270 0.77 NR1H2 (0.39) DYRK1ANR1H2HCRTR2HCRTR1SORD
SCHEMBL31434276 0.77 SORD (0.41) NR1H2HCRTR2HCRTR1SORD
SCHEMBL20745096 0.77 NR1H2 (0.39) NR1H2HCRTR2HCRTR1SORDRBP4
SCHEMBL20745976 0.77 ACACB (0.43) NR1H2HCRTR2HCRTR1SORD
SCHEMBL16815392 0.75 PIK3CA (0.51) SORD
SCHEMBL22320481 0.74 NR1H2 (0.39) NR1H2HCRTR2HCRTR1SORD
SCHEMBL20745928 0.74 NR1H2 (0.39) NR1H2HCRTR2HCRTR1SORDRBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250313572-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2025-10-09 US disclosed
US-20240228509-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2024-07-11 US disclosed
US-20230399340-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2023-12-14 US disclosed
US-20200239494-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2020-07-30 US disclosed
EP-3668502-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE AbbVie Inc. (US) 2020-06-24 EP disclosed
WO-2019035927-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 (4 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-20240228509-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 DYRK1A 2584/4885NR1H2 3568/4885HCRTR2 4683/4885
US-20200239494-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 DYRK1A 2584/4885NR1H2 3568/4885HCRTR2 4683/4885
US-20250313572-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 DYRK1A 2584/4885NR1H2 3568/4885HCRTR2 4683/4885
US-20230399340-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 DYRK1A 2584/4885NR1H2 3568/4885HCRTR2 4683/4885

“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.