SCHEMBL20745429

SCHEMBL20745429

CN1CCCO[C@H](COc2ccc(-c3nccc(CO)n3)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.47
PDK1 Q15118 3/20 0.43
SYK P43405 1/20 0.40
DRD4 P21917 2/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
NR1I2 O75469 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL20745573 1.00 HRH3 (0.47) HRH3PDK1SYKDRD4LMNA
SCHEMBL20745430 1.00 HRH3 (0.47) HRH3PDK1SYKDRD4LMNA
SCHEMBL20745309 0.94 HRH3 (0.53) HRH3PDK1DRD4IRAK4NR1I2
SCHEMBL20745565 0.94 HRH3 (0.53) HRH3PDK1DRD4IRAK4NR1I2
SCHEMBL20745308 0.94 HRH3 (0.53) HRH3PDK1DRD4IRAK4NR1I2
SCHEMBL22262342 0.86 HRH3 (0.43) HRH3PDK1SYKDRD4LMNA
SCHEMBL20745526 0.83 HRH3 (0.42) HRH3PDK1DRD4IRAK4
SCHEMBL20745527 0.83 HRH3 (0.42) HRH3PDK1DRD4IRAK4
SCHEMBL20745889 0.79 KDM4E (0.42) LMNANPC1RAB9ATDP1
SCHEMBL22262546 0.79 KDM4E (0.42) LMNANPC1RAB9ATDP1

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 9 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-112739343-A Macrocyclic MCL-1 inhibitors and methods of use 艾伯维公司 2021-04-30 CN disclosed
CN-111818916-A Macrocyclic MCL-1 inhibitors and methods of use 艾伯维公司 2020-10-23 CN disclosed
US-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2020-08-13 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 (5 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 2472/4885SYK 2433/4885
US-20200239494-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 HRH3 3638/4885PDK1 2472/4885SYK 2433/4885
US-20250313572-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 HRH3 3638/4885PDK1 2472/4885SYK 2433/4885
US-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 HRH3 3652/4885PDK1 2477/4885SYK 2452/4885
US-20230399340-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 HRH3 3638/4885PDK1 2472/4885SYK 2433/4885

“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.