SCHEMBL20972721

SCHEMBL20972721

C1CO[C@@H](COCC2CCC3(CC2)OCCO3)CO1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
GPR84 Q9NQS5 1/20 0.31

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
SCHEMBL20972723 1.00 TSHR (0.34) TSHRCHRM2CHRM4CHRM5CHRM3
SCHEMBL22262704 0.80 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM3
SCHEMBL1134280 0.80 GPR119 (0.33)
SCHEMBL9278052 0.78 CHRM2 (0.48) TSHRCHRM2CHRM4CHRM5CHRM3
SCHEMBL1134397 0.77 GPR119 (0.32)
SCHEMBL20972699 0.77 CHRM2 (0.32) TSHRCHRM2CHRM4CHRM5CHRM3
SCHEMBL20745519 0.77 CHRM2 (0.32) TSHRCHRM2CHRM4CHRM5CHRM3
SCHEMBL20972563 0.77 CHRM2 (0.32) TSHRCHRM2CHRM4CHRM5CHRM3
SCHEMBL5090025 0.74 TSHR (0.48) TSHRCHRM2CHRM4CHRM5CHRM3
SCHEMBL18183280 0.74 TSHR (0.48) TSHRCHRM2CHRM4CHRM5CHRM3

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-20250092062-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2025-03-20 US disclosed
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
US-20190144465-A1 Macrocyclic MCL-1 inhibitors and methods of use AbbVie Deutschland GmbH & Co. KG (DE) 2019-05-16 US 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-10676485-B2 Macrocyclic MCL-1 inhibitors and methods of use MCL1, BCL2A1, BCL2L10 TSHR 1846/4885CHRM2 3457/4885CHRM4 4361/4885
US-20190144465-A1 Macrocyclic MCL-1 inhibitors and methods of use MCL1, BCL2A1, BCL2L10 TSHR 1769/4885CHRM2 3499/4885CHRM4 4357/4885
US-20230183261-A1 Macrocyclic MCL-1 Inhibitors and Methods of Use MCL1, BCL2A1, BCL2L10 TSHR 1846/4885CHRM2 3457/4885CHRM4 4361/4885
US-20250092062-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 TSHR 1846/4885CHRM2 3457/4885CHRM4 4361/4885
US-20200325153-A1 Macrocyclic MCL-1 Inhibitors and Methods of Use MCL1, BCL2A1, BCL2L10 TSHR 1846/4885CHRM2 3457/4885CHRM4 4361/4885

“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.