SCHEMBL21821577

SCHEMBL21821577

COC(=O)c1cccc(C2CC(=O)C(=CNCCN3CCOCC3)C(=O)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CASR P41180 3/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ MAP1LC3B Q9GZQ8 1/20 0.41
▸ EIF2AK2 P19525 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ HIF1A Q16665 1/20 0.40

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
SCHEMBL21821938 0.89 HIF1A (0.46) ALDH1A1CYP2C19SMN1; SMN2MAP1LC3BHIF1A
SCHEMBL22056945 0.82 CYP2C19 (0.58) ALDH1A1CYP2C19MAP1LC3BLMNAHIF1A
SCHEMBL21821712 0.79 CYP2C19 (0.46) ALDH1A1CYP2C19SMN1; SMN2MAP1LC3BHIF1A
SCHEMBL22057715 0.76 MAP1LC3B (0.56) ALDH1A1CYP2C19L3MBTL1SMN1; SMN2NPSR1
SCHEMBL21821912 0.75 HIF1A (0.51) ALDH1A1L3MBTL1MAP1LC3BHIF1A
SCHEMBL21821713 0.74 MAP1LC3B (0.49) ALDH1A1CYP2C19CYP2C9SMN1; SMN2MAP1LC3B
SCHEMBL21773998 0.73 KMT2A (0.47) ALDH1A1
SCHEMBL5744332 0.72 ALDH1A1 (0.67) ALDH1A1CYP2C19CYP2C9L3MBTL1CASR
SCHEMBL21821895 0.72 MAP1LC3B (0.59) NPSR1MAP1LC3BLMNA
SCHEMBL26530728 0.72 MEN1 (0.49) CYP2C19MAP1LC3B

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 4264/4885CYP2C19 3886/4885CYP2C9 4182/4885
US-20200190066-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF ATG7, SQSTM1, BECN1 ALDH1A1 4264/4885CYP2C19 3886/4885CYP2C9 4182/4885

“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