SCHEMBL21821569

SCHEMBL21821569

COc1ccc(C2CC(=O)C(=CNCCN3CCN(CCO)CC3)C(=O)C2)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.49
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ USP2 O75604 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ DRD2 P14416 2/20 0.39
▸ DRD4 P21917 2/20 0.39

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
SCHEMBL21821610 0.85 TP53 (0.38) TP53LMNAALDH1A1DRD2DRD4
SCHEMBL29582419 0.84 DRD3 (0.38) TP53HTR2ADRD2DRD4
SCHEMBL21822046 0.84 DRD3 (0.38) TP53HTR2ADRD2DRD4
SCHEMBL21821568 0.84 SLC6A4 (0.50) MAPTHTR2AALDH1A1ALOX15DRD2
SCHEMBL29583001 0.84 SLC6A4 (0.50) MAPTHTR2AALDH1A1ALOX15DRD2
SCHEMBL29583029 0.82 TP53 (0.48) TP53MAPTLMNAHTR2AALDH1A1
SCHEMBL29581817 0.79 LMNA (0.40) LMNAKDM4EALDH1A1DRD2DRD4
SCHEMBL21822040 0.79 LMNA (0.40) LMNAKDM4EALDH1A1DRD2DRD4
SCHEMBL21821677 0.78 RAB9A (0.36) LMNAMAPK1KDM4EALDH1A1
SCHEMBL21821934 0.78 L3MBTL1 (0.41) TP53HPGDMAPTHTR2AALDH1A1

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 6 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
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 1710/4885HPGD 3647/4885TSHR 4336/4885
US-20200190066-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF ATG7, SQSTM1, BECN1 TP53 1710/4885HPGD 3647/4885TSHR 4336/4885

“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.

Send feedback