SCHEMBL20745669

SCHEMBL20745669

COCC1(C)CN(c2nccc(CO)n2)C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.35
▸ AOC3 Q16853 1/20 0.33
▸ SORD Q00796 8/20 0.33
▸ SCN9A Q15858 1/20 0.32
▸ CYP2D6 P10635 3/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ DYRK1A Q13627 1/20 0.31
▸ CRBN Q96SW2 1/20 0.31
▸ NUDT1 P36639 1/20 0.30
▸ ACHE P22303 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
SCHEMBL20745658 0.85 NR1H2 (0.34) NR1H2AOC3SORDCYP2D6HSD17B10
SCHEMBL20745559 0.81 AOC3 (0.35) AOC3SCN9AHSD17B10
SCHEMBL22320566 0.77 ACACB (0.41) NR1H2SORDDYRK1A
SCHEMBL20745099 0.76 EGFR (0.37) NR1H2AOC3SORDCYP2D6HSD17B10
SCHEMBL24921032 0.75 AOC3 (0.39) AOC3DYRK1ACRBN
SCHEMBL20745663 0.74 SORD (0.41) NR1H2AOC3SORDDYRK1A
SCHEMBL20745928 0.74 NR1H2 (0.39) NR1H2AOC3SORDSCN9A
SCHEMBL20745052 0.73 DYRK1A (0.48) NR1H2SORDCYP2D6HSD17B10DYRK1A
SCHEMBL20745976 0.73 ACACB (0.43) NR1H2AOC3SORD
SCHEMBL20745044 0.72 NR1H2 (0.36) NR1H2SORDCYP2D6HSD17B10DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112739343-A Macrocyclic MCL-1 inhibitors and methods of use 艾伯维公司 2021-04-30 — — CN disclosed
US-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2020-08-13 — — US disclosed
EP-3668504-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE AbbVie Inc. (US) 2020-06-24 — — EP disclosed
WO-2019035914-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 (1 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-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 NR1H2 3570/4885AOC3 3230/4885SORD 4665/4885

“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.

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