SCHEMBL29581966

SCHEMBL29581966

O=C1CC(c2ccnc3ccccc23)CC(=O)C1=CNCCN1CCN(CCO)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.40
▸ DRD2 P14416 6/20 0.39
▸ DRD3 P35462 5/20 0.39
▸ HDAC8 Q9BY41 2/20 0.36
▸ MAP1LC3B Q9GZQ8 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ DRD4 P21917 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PTK2B Q14289 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 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
SCHEMBL21822005 1.00 HRH3 (0.40) HRH3DRD2DRD3HDAC8MAP1LC3B
SCHEMBL22111676 0.93 MEN1 (0.39) HRH3DRD2DRD3MAPTSMN1; SMN2
SCHEMBL21821643 0.84 JAK2 (0.44) —
SCHEMBL30638788 0.84 JAK2 (0.44) —
SCHEMBL26527749 0.83 CCNE1 (0.32) —
SCHEMBL21822046 0.82 DRD3 (0.38) DRD2DRD3MAP1LC3BDRD4TP53
SCHEMBL29582419 0.82 DRD3 (0.38) DRD2DRD3MAP1LC3BDRD4TP53
SCHEMBL21821710 0.81 SLC18A3 (0.39) DRD3MAPTHTR1AHTR2CMAPK1
SCHEMBL29582913 0.81 OPRL1 (0.44) —
SCHEMBL21821680 0.81 OPRL1 (0.44) —

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-11319303-B2 Compound used as autophagy regulator, and preparation method therefor and uses thereof ATG7, SQSTM1, BECN1 HRH3 4007/4885DRD2 4459/4885DRD3 4600/4885

“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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