SCHEMBL21822029

SCHEMBL21822029

CCOC(=O)C1C(=O)/C(=C\NCCN2CCN(CCO)CC2)C(=O)CC1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HTT P42858 5/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ LMNA P02545 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ BLM P54132 1/20 0.39
▸ TSHR P16473 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KDM1A O60341 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
SCHEMBL21822031 1.00 MEN1 (0.41) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL21821681 0.89 DRD2 (0.36) ALDH1A1KDM1A
SCHEMBL21821682 0.89 DRD2 (0.36) ALDH1A1KDM1A
SCHEMBL22111689 0.88 P4HB (0.35) MEN1KMT2AL3MBTL1HTTALDH1A1
SCHEMBL21821828 0.88 P4HB (0.35) MEN1KMT2AL3MBTL1HTTALDH1A1
SCHEMBL21821975 0.86 KDM1A (0.38) MEN1KMT2AHTTALDH1A1TSHR
SCHEMBL21821973 0.86 KDM1A (0.38) MEN1KMT2AHTTALDH1A1TSHR
SCHEMBL21821817 0.83 KDM1A (0.40) MEN1KMT2AHTTALDH1A1CYP2C19
SCHEMBL21821816 0.83 KDM1A (0.40) MEN1KMT2AHTTALDH1A1CYP2C19
SCHEMBL21821651 0.82 KDM1A (0.41) MEN1KMT2AHTTALDH1A1MAPT

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 4 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-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 (1 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-20200190066-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF ATG7, SQSTM1, BECN1 MEN1 3447/4885KMT2A 3378/4885L3MBTL1 2907/4885

“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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