SCHEMBL22111740

SCHEMBL22111740

O=C1CC(c2ccncc2)CC(=O)C1=CNCCN1CCN(CCO)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ SLC18A3 Q16572 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ MAPK11 Q15759 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34

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
SCHEMBL21821626 0.94 MAPK11 (0.38) CYP3A4SLC18A3ALDH1A1MEN1KMT2A
SCHEMBL21821639 0.89 HRH3 (0.42) CYP3A4ALDH1A1
SCHEMBL21821591 0.88 SLC18A3 (0.50) SLC18A3ALDH1A1MEN1KMT2AADRA1A
SCHEMBL21821781 0.87 ALDH1A1 (0.38) SLC18A3ALDH1A1MEN1KMT2AHTT
SCHEMBL21821929 0.87 CYP3A4 (0.33) CYP3A4SLC18A3ALDH1A1MEN1KMT2A
SCHEMBL21821754 0.86 MAP1LC3B (0.44) SLC18A3ALDH1A1MEN1KMT2AHTT
SCHEMBL21821814 0.86 MAP1LC3B (0.45) CYP3A4SLC18A3ALDH1A1MEN1KMT2A
SCHEMBL21821914 0.86 SLC6A5 (0.39) CYP3A4SLC18A3ALDH1A1MEN1KMT2A
SCHEMBL26523529 0.85 ALDH1A1 (0.37) SLC18A3ALDH1A1MEN1KMT2AHTT
SCHEMBL21821583 0.84 KIT (0.36) CYP3A4MAPK11MAPK14

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 3 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-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

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 2423/4885CYP19A1 2800/4885SLC18A3 2277/4885
US-20200190066-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF ATG7, SQSTM1, BECN1 CYP3A4 2423/4885CYP19A1 2800/4885SLC18A3 2277/4885

“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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