SCHEMBL21821789

SCHEMBL21821789

O=C1CC(c2ccccc2-c2ccncc2)CC(=O)C1=CNCCN1CCN(CCO)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ MAPT P10636 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HTR1A P08908 2/20 0.34
▸ DRD2 P14416 2/20 0.34
▸ MAPK11 Q15759 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ ROCK2 O75116 2/20 0.33
▸ ROCK1 Q13464 2/20 0.33
▸ BUB1 O43683 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL21821570 0.92 LMNA (0.42) MAPTNPSR1LMNAHTTHTR1A
SCHEMBL21821626 0.85 MAPK11 (0.38) MAPK11MAPK14ROCK2ROCK1BUB1
SCHEMBL21821710 0.84 SLC18A3 (0.39) MAPTNPSR1LMNAHTTHTR1A
SCHEMBL22111740 0.84 CYP3A4 (0.37) ADRA1AHTTHTR1AMAPK11MAPK14
SCHEMBL22111734 0.83 MAPT (0.40) ADRA2AADRA1AMAPTNPSR1LMNA
SCHEMBL21821934 0.83 L3MBTL1 (0.41) MAPTNPSR1DRD2HTR7
SCHEMBL21821583 0.82 KIT (0.36) MAPK11MAPK14ROCK2ROCK1BUB1
SCHEMBL21821628 0.82 RBP4 (0.41) LMNACYP3A4
SCHEMBL22111728 0.81 HTR1A (0.34) MAPTNPSR1HTR1ADRD2HTR6
SCHEMBL21821591 0.80 SLC18A3 (0.50) ADRA1DADRA1A

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 ADRA2A 3811/4885ADRA1D 4051/4885ADRA1A 3483/4885
US-20200190066-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF ATG7, SQSTM1, BECN1 ADRA2A 3811/4885ADRA1D 4051/4885ADRA1A 3483/4885

“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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