Sugi Predict

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SCHEMBL4815113

SCHEMBL4815113

CC(C)(C)OC(=O)C1C=C(B2OC(C)(C)C(C)(C)O2)CCN1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.34
▸ USP30 Q70CQ3 2/20 0.34
▸ MAPK1 P28482 2/20 0.33
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ AAK1 Q2M2I8 1/20 0.32
▸ DGAT1 O75907 1/20 0.31
▸ BACE1 P56817 1/20 0.30
▸ BACE2 Q9Y5Z0 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
SCHEMBL4617128 0.82 P2RX7 (0.38) P2RX7MAPK1
SCHEMBL29654701 0.74 P2RX7 (0.34) P2RX7USP30MAPK1PRMT5WDR77
SCHEMBL3807680 0.74 P2RX7 (0.40) P2RX7MAPK1
SCHEMBL16272001 0.72 USP30 (0.39) P2RX7USP30MAPK1
SCHEMBL21340355 0.72 USP30 (0.39) P2RX7USP30MAPK1
SCHEMBL12461395 0.72 USP30 (0.39) P2RX7USP30MAPK1
SCHEMBL3304371 0.72 P2RX7 (0.40) P2RX7USP30MAPK1PRMT5WDR77
SCHEMBL18816243 0.72 P2RX7 (0.40) P2RX7USP30MAPK1PRMT5WDR77
SCHEMBL16386071 0.72 NFKB1 (0.44) P2RX7USP30PRMT5WDR77AAK1
SCHEMBL7849903 0.71 MAPK1 (0.33) MAPK1

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-20240083853-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, INC. 2024-03-14 — — US disclosed
EP-4221701-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, Inc. (US) 2023-08-09 — — EP disclosed
WO-2022072491-A1 HSD17B13 INHIBITORS AND USES THEREOF METACRINE, INC. (US) 2022-04-07 — — WO disclosed
US-20080139555-A1 Arylthiobenzylpiperidine Derivatives H. LUNDBECK A/S (DK) 2008-06-12 — — US disclosed
US-7329656-B2 Arylthiobenzylpiperidine derivatives H. LUNDBECK A/S (DK) 2008-02-12 — — US disclosed
US-20060079683-A1 Arylthiobenzylpiperidine derivatives H. LUNDBECK A/S (DK) 2006-04-13 — — US disclosed
US-20060079523-A1 N-[3-(1-{[4-(4-fluorophenylthio)phenyl]methyl}(4-piperidyl))-4-methylphenyl]-2-methylpropanamide; melatonin-concentrating hormone (MCH1) receptor ligand; antidepressant, anxiolytic, antidiabetic agent H. LUNDBECK A/S 2006-04-13 — — 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 (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-20060079523-A1 N-[3-(1-{[4-(4-fluorophenylthio)phenyl]methyl}(4-piperidyl))-4-methylphenyl]-2-methylpropanamide; melatonin-concentrating hormone (MCH1) receptor ligand; antidepressant, anxiolytic, antidiabetic agent MCHR1, MTNR1A, MTNR1B P2RX7 1003/4885USP30 1794/4885MAPK1 2467/4885
US-20080139555-A1 Arylthiobenzylpiperidine Derivatives MCHR1, MC4R, MCHR2 P2RX7 466/4885USP30 1780/4885MAPK1 2138/4885
US-20060079683-A1 Arylthiobenzylpiperidine derivatives MCHR1, MC4R, MCHR2 P2RX7 468/4885USP30 1767/4885MAPK1 2152/4885
US-20240083853-A1 HSD17B13 INHIBITORS AND USES THEREOF HSD17B3, HSD17B11, HSD17B1 P2RX7 4643/4885USP30 1398/4885MAPK1 3974/4885

“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.