SCHEMBL20745806

SCHEMBL20745806

COCCOCC1(F)CCN(c2nccc(CO)n2)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.34
▸ ACHE P22303 3/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ AOC3 Q16853 1/20 0.33
▸ SORD Q00796 2/20 0.33
▸ EGFR P00533 3/20 0.32
▸ MTOR P42345 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.31
▸ NR1H2 P55055 1/20 0.31
▸ CRBN Q96SW2 1/20 0.31
▸ KIF18A Q8NI77 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
SCHEMBL20745603 0.82 MCL1 (0.37) ACHE
SCHEMBL20746494 0.78 TRPV3 (0.42) AOC3SORDNR1H2KIF18A
SCHEMBL20745658 0.77 NR1H2 (0.34) AOC3SORDEGFRCYP2D6HSD17B10
SCHEMBL22263036 0.77 — —
SCHEMBL20745798 0.77 — —
SCHEMBL22262744 0.77 — —
SCHEMBL22262319 0.77 — —
SCHEMBL22262678 0.77 — —
SCHEMBL20745257 0.76 KDM4E (0.37) ACHEAOC3SORDEGFRNR1H2
SCHEMBL20745663 0.75 SORD (0.41) AOC3SORDMTORNR1H2

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 SCN9A 2206/4885ACHE 4299/4885CYP3A4 3250/4885

“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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