SCHEMBL21821610

SCHEMBL21821610

COc1cc(C2CC2)c(C2CC(=O)C(=CNCCN3CCN(CCO)CC3)C(=O)C2)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.38
▸ HTR4 Q13639 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ DRD4 P21917 2/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAP1LC3B Q9GZQ8 1/20 0.34
▸ MAP4K1 Q92918 1/20 0.33

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
SCHEMBL21821569 0.85 TP53 (0.49) TP53LMNADRD4DRD2ALDH1A1
SCHEMBL21821710 0.84 SLC18A3 (0.39) LMNADRD3ALDH1A1
SCHEMBL29582405 0.83 HTR4 (0.39) TP53HTR4LMNAKMT2APOLB
SCHEMBL21822046 0.82 DRD3 (0.38) TP53DRD4SIGMAR1DRD2DRD1
SCHEMBL29582419 0.82 DRD3 (0.38) TP53DRD4SIGMAR1DRD2DRD1
SCHEMBL21821706 0.80 MAPK7 (0.44) —
SCHEMBL21821934 0.78 L3MBTL1 (0.41) TP53KMT2AMEN1DRD4DRD2
SCHEMBL29581817 0.78 LMNA (0.40) LMNAKMT2APOLBMEN1DRD4
SCHEMBL29583001 0.77 SLC6A4 (0.50) HTR4DRD2ALDH1A1
SCHEMBL21821771 0.76 SMN1; SMN2 (0.35) TP53LMNAALDH1A1

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 TP53 1710/4885HTR4 3184/4885LMNA 3953/4885
US-20200190066-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF ATG7, SQSTM1, BECN1 TP53 1710/4885HTR4 3184/4885LMNA 3953/4885

“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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