SCHEMBL20745802

SCHEMBL20745802

O=C(O)N1CCC(OC[C@H]2COCCO2)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
GPR84 Q9NQS5 10/20 0.33
NPSR1 Q6W5P4 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
CYP11B2 P19099 1/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 2/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
FEN1 P39748 1/20 0.31
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL20745803 1.00 MAPT (0.37) MAPTGPR84NPSR1CHRM2CHRM4
SCHEMBL28470920 0.82 USP2 (0.50) MAPTKDM4EUSP2
SCHEMBL28470917 0.82 USP2 (0.50) MAPTKDM4EUSP2
SCHEMBL19023658 0.73 LPL (0.39)
SCHEMBL20745331 0.73 GPR84 (0.37) MAPTGPR84CHRM2CHRM4CHRM5
SCHEMBL20972672 0.72 MAPT (0.33) MAPTGPR84CHRM2CHRM4CHRM5
SCHEMBL20972674 0.72 MAPT (0.33) MAPTGPR84CHRM2CHRM4CHRM5
SCHEMBL20972747 0.72 MAPT (0.33) MAPTGPR84CHRM2CHRM4CHRM5
SCHEMBL28974507 0.72 CA2 (0.47) NPSR1ALDH1A1
SCHEMBL28974572 0.72 CA2 (0.47) NPSR1ALDH1A1

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-20230183261-A1 Macrocyclic MCL-1 Inhibitors and Methods of Use ABBVIE INC (US) 2023-06-15 US disclosed
EP-3988555-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE AbbVie Inc. (US) 2022-04-27 EP disclosed
US-20200325153-A1 Macrocyclic MCL-1 Inhibitors and Methods of Use ABBVIE INC (US) 2020-10-15 US disclosed
US-10676485-B2 Macrocyclic MCL-1 inhibitors and methods of use ABBVIE INC. (US) 2020-06-09 US disclosed
EP-3652184-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE AbbVie Inc. (US) 2020-05-20 EP disclosed
US-20190144465-A1 Macrocyclic MCL-1 inhibitors and methods of use AbbVie Deutschland GmbH & Co. KG (DE) 2019-05-16 US disclosed
WO-2019035911-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-10676485-B2 Macrocyclic MCL-1 inhibitors and methods of use MCL1, BCL2A1, BCL2L10 MAPT 4497/4885GPR84 4269/4885NPSR1 4573/4885
US-20190144465-A1 Macrocyclic MCL-1 inhibitors and methods of use MCL1, BCL2A1, BCL2L10 MAPT 4540/4885GPR84 4286/4885NPSR1 4589/4885
US-20230183261-A1 Macrocyclic MCL-1 Inhibitors and Methods of Use MCL1, BCL2A1, BCL2L10 MAPT 4497/4885GPR84 4269/4885NPSR1 4573/4885
US-20200325153-A1 Macrocyclic MCL-1 Inhibitors and Methods of Use MCL1, BCL2A1, BCL2L10 MAPT 4497/4885GPR84 4269/4885NPSR1 4573/4885

“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.