SCHEMBL21821806

SCHEMBL21821806

O=C1CC(c2ccccc2)CC(=O)C1=CNCCN1CCN(C(=O)Cc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ MAP1LC3B Q9GZQ8 1/20 0.54
▸ ALDH1A1 P00352 6/20 0.46
▸ POLB P06746 1/20 0.46
▸ HSD11B1 P28845 1/20 0.46
▸ KMT2A Q03164 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ USP2 O75604 1/20 0.44
▸ HTT P42858 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ SIGMAR1 Q99720 2/20 0.42
▸ CCR5 P51681 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL22057749 0.93 MAP1LC3B (0.63) CYP3A4CYP2C9TSHRCYP2C19MAP1LC3B
SCHEMBL21821560 0.89 MAP1LC3B (0.46) CYP3A4CYP2C9TSHRCYP2C19MAP1LC3B
SCHEMBL21821987 0.86 CYP2C9 (0.42) CYP3A4CYP2C9TSHRCYP2C19MAP1LC3B
SCHEMBL21773998 0.85 KMT2A (0.47) ALDH1A1KMT2AMEN1SIGMAR1KDM4E
SCHEMBL21821591 0.84 SLC18A3 (0.50) TSHRCYP2C19MAP1LC3BALDH1A1KMT2A
SCHEMBL21821755 0.84 MAP1LC3B (0.44) CYP3A4CYP2C9TSHRCYP2C19MAP1LC3B
SCHEMBL21821703 0.84 MEN1 (0.42) CYP3A4CYP2C9TSHRCYP2C19MAP1LC3B
SCHEMBL21773995 0.84 ALDH1A1 (0.46) CYP3A4CYP2C9TSHRCYP2C19MAP1LC3B
SCHEMBL26530728 0.82 MEN1 (0.49) CYP2C19MAP1LC3BKMT2AMEN1
SCHEMBL22056960 0.82 ALDH1A1 (0.59) TSHRALDH1A1HSD11B1KMT2ALMNA

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 CYP3A4 2423/4885CYP2C9 4182/4885TSHR 4336/4885
US-20200190066-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF ATG7, SQSTM1, BECN1 CYP3A4 2423/4885CYP2C9 4182/4885TSHR 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.

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