SCHEMBL21821593

SCHEMBL21821593

COCCOCCOc1ccc(C2CC(=O)C(=CNCCN3CCN(CCO)CC3)C(=O)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 5/20 0.38
▸ DRD3 P35462 5/20 0.38
▸ DRD4 P21917 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.36
▸ MAP1LC3B Q9GZQ8 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ DRD1 P21728 1/20 0.36
▸ DRD5 P21918 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ KCNA5 P22460 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ RAB9A P51151 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
SCHEMBL21821965 0.97 ALDH1A1 (0.39) ALDH1A1USP30MAP1LC3BHIF1AKCNH2
SCHEMBL26522970 0.94 ALDH1A1 (0.36) ALDH1A1MAP1LC3BHIF1AKCNH2MEN1
SCHEMBL21821600 0.90 DRD2 (0.41) DRD2DRD3DRD4HTR1AADRA2A
SCHEMBL29582088 0.90 DRD2 (0.41) DRD2DRD3DRD4HTR1AADRA2A
SCHEMBL21821639 0.87 HRH3 (0.42) DRD3ALDH1A1KCNH2
SCHEMBL21821629 0.84 TSHR (0.44) ALDH1A1MAP1LC3BMEN1KMT2A
SCHEMBL22111672 0.84 MAP1LC3B (0.40) DRD2DRD3DRD4ALDH1A1MAP1LC3B
SCHEMBL26522678 0.83 CYP2D6 (0.40) DRD2DRD3DRD4MAP1LC3BTP53
SCHEMBL21821814 0.81 MAP1LC3B (0.45) ALDH1A1MAP1LC3BMEN1KMT2A
SCHEMBL29581817 0.81 LMNA (0.40) DRD2DRD3DRD4ALDH1A1MAP1LC3B

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 DRD2 4459/4885DRD3 4600/4885DRD4 4559/4885
US-20200190066-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF ATG7, SQSTM1, BECN1 DRD2 4459/4885DRD3 4600/4885DRD4 4559/4885

“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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