SCHEMBL21821781

SCHEMBL21821781

O=C1CC(c2ccc(O)cc2)CC(=O)C1=CNCCN1CCN(CCO)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ SLC18A3 Q16572 1/20 0.37
▸ MAP1LC3B Q9GZQ8 9/20 0.37
▸ MAPT P10636 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ USP2 O75604 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL21821814 0.90 MAP1LC3B (0.45) ALDH1A1SLC18A3MAP1LC3BMAPTLMNA
SCHEMBL21821754 0.90 MAP1LC3B (0.44) ALDH1A1SLC18A3MAP1LC3BMEN1KMT2A
SCHEMBL21821591 0.89 SLC18A3 (0.50) ALDH1A1SLC18A3MAP1LC3BMEN1KMT2A
SCHEMBL26523529 0.89 ALDH1A1 (0.37) ALDH1A1SLC18A3MAP1LC3BMAPTLMNA
SCHEMBL22111740 0.87 CYP3A4 (0.37) ALDH1A1SLC18A3MEN1KMT2AHTT
SCHEMBL21821839 0.87 KDM1A (0.37) ALDH1A1SLC18A3MAP1LC3BMAPTMEN1
SCHEMBL21821914 0.87 SLC6A5 (0.39) ALDH1A1SLC18A3LMNAMEN1KMT2A
SCHEMBL26523519 0.87 ALDH1A1 (0.43) ALDH1A1SLC18A3MAP1LC3BMAPTLMNA
SCHEMBL21821626 0.86 MAPK11 (0.38) ALDH1A1SLC18A3MAP1LC3BMEN1KMT2A
SCHEMBL21821841 0.86 SLC9A3 (0.36) ALDH1A1SLC18A3MAP1LC3BMAPTLMNA

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
EP-3632903-B1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF WIGEN BIOMEDICINE TECH SHANGHAI CO LTD (CN) 2023-10-11 — — EP disclosed
EP-3632903-B1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF WIGEN BIOMEDICINE TECH SHANGHAI CO LTD (CN) 2023-10-11 — — EP disclosed
US-11319303-B2 Compound used as autophagy regulator, and preparation method therefor and uses thereof Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2022-05-03 — — US disclosed
US-11319303-B2 Compound used as autophagy regulator, and preparation method therefor and uses thereof Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2022-05-03 — — US disclosed
US-20200190066-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2020-06-18 — — US disclosed
US-20200190066-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2020-06-18 — — US disclosed
EP-3632903-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF Wigen Biomedicine Technology (Shanghai) Co., Ltd. (CN) 2020-04-08 — — EP 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 (2 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-11319303-B2 Compound used as autophagy regulator, and preparation method therefor and uses thereof ATG7, SQSTM1, BECN1 ALDH1A1 4264/4885SLC18A3 2277/4885MAP1LC3B 15/4885
US-20200190066-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF ATG7, SQSTM1, BECN1 ALDH1A1 4264/4885SLC18A3 2277/4885MAP1LC3B 15/4885

“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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