SCHEMBL21821739

SCHEMBL21821739

O=C1CC(c2ccc(N3CCOCC3)cc2)CC(=O)C1=CNCCN1CCN(CCO)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP1LC3B Q9GZQ8 3/20 0.41
▸ CYP2C19 P33261 1/20 0.40
▸ HIF1A Q16665 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ ALDH1A1 P00352 9/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GAA P10253 6/20 0.36
▸ MAPT P10636 6/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ALOX12 P18054 4/20 0.36
▸ GRM2 Q14416 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HSP90AA1 P07900 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
SCHEMBL22111846 0.94 MAP1LC3B (0.41) MAP1LC3BCYP2C19HIF1ATSHRALDH1A1
SCHEMBL21821837 0.90 DRD2 (0.36) MAP1LC3BALDH1A1
SCHEMBL21821868 0.86 NAMPT (0.40) MAP1LC3BCYP2C19HIF1AALDH1A1POLB
SCHEMBL21821819 0.86 ALDH1A1 (0.41) MAP1LC3BCYP2C19HIF1ATSHRALDH1A1
SCHEMBL22111681 0.85 BRD4 (0.48) MAP1LC3BTSHRALDH1A1KMT2AGAA
SCHEMBL21821781 0.85 ALDH1A1 (0.38) MAP1LC3BALDH1A1KMT2AMAPT
SCHEMBL21821814 0.84 MAP1LC3B (0.45) MAP1LC3BCYP2C19TSHRALDH1A1KMT2A
SCHEMBL21821754 0.84 MAP1LC3B (0.44) MAP1LC3BALDH1A1KMT2A
SCHEMBL21821591 0.84 SLC18A3 (0.50) MAP1LC3BCYP2C19TSHRALDH1A1KMT2A
SCHEMBL26523529 0.83 ALDH1A1 (0.37) MAP1LC3BCYP2C19ALDH1A1KMT2AMAPT

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 MAP1LC3B 15/4885CYP2C19 3886/4885HIF1A 1782/4885
US-20200190066-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF ATG7, SQSTM1, BECN1 MAP1LC3B 15/4885CYP2C19 3886/4885HIF1A 1782/4885

“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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