SCHEMBL20745308

SCHEMBL20745308

CN1CCO[C@H](COc2ccc(-c3nccc(CO)n3)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.53
PDK1 Q15118 3/20 0.44
IRAK4 Q9NWZ3 1/20 0.42
DRD4 P21917 6/20 0.41
P2RX3 P56373 2/20 0.38
P2RX2 Q9UBL9 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
NR1I2 O75469 1/20 0.38

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
SCHEMBL20745309 1.00 HRH3 (0.53) HRH3PDK1IRAK4DRD4P2RX3
SCHEMBL20745565 1.00 HRH3 (0.53) HRH3PDK1IRAK4DRD4P2RX3
SCHEMBL20745430 0.94 HRH3 (0.47) HRH3PDK1IRAK4DRD4NR1I2
SCHEMBL20745573 0.94 HRH3 (0.47) HRH3PDK1IRAK4DRD4NR1I2
SCHEMBL20745429 0.94 HRH3 (0.47) HRH3PDK1IRAK4DRD4NR1I2
SCHEMBL22262536 0.85 HRH3 (0.49) HRH3PDK1IRAK4DRD4P2RX3
SCHEMBL22262538 0.85 HRH3 (0.49) HRH3PDK1IRAK4DRD4P2RX3
SCHEMBL22262679 0.85 HRH3 (0.49) HRH3PDK1IRAK4DRD4P2RX3
SCHEMBL22320690 0.82 HRH3 (0.48) HRH3PDK1IRAK4DRD4
SCHEMBL22320687 0.82 HRH3 (0.48) HRH3PDK1IRAK4DRD4

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 7 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
CN-111818916-A Macrocyclic MCL-1 inhibitors and methods of use 艾伯维公司 2020-10-23 CN 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 HRH3 3638/4885PDK1 2472/4885IRAK4 1355/4885
US-20200239494-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 HRH3 3638/4885PDK1 2472/4885IRAK4 1355/4885
US-20250313572-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 HRH3 3638/4885PDK1 2472/4885IRAK4 1355/4885
US-20230399340-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 HRH3 3638/4885PDK1 2472/4885IRAK4 1355/4885

“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.