SCHEMBL29438611

SCHEMBL29438611

COc1ccc2c(c1)CCN(c1ccc(F)cc1)C2=O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 4/20 0.55
▸ PDE4B Q07343 4/20 0.55
▸ PDE4C Q08493 4/20 0.55
▸ PDE4D Q08499 4/20 0.55
▸ AOC3 Q16853 7/20 0.52
▸ PKM P14618 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ MAPK14 Q16539 2/20 0.46

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
SCHEMBL29438613 1.00 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DAOC3
SCHEMBL16827362 1.00 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DAOC3
SCHEMBL16848202 0.88 AOC3 (0.61) PDE4APDE4BPDE4CPDE4DAOC3
SCHEMBL12870758 0.86 AOC3 (0.58) AOC3PKMNPC1RAB9AMAPK14
SCHEMBL16848201 0.86 AOC3 (0.49) PDE4APDE4BPDE4CPDE4DAOC3
SCHEMBL16848254 0.86 NOX4 (0.51) AOC3PKMNPC1RAB9AMAPK14
SCHEMBL16848252 0.86 AOC3 (0.48) PDE4APDE4BPDE4CPDE4DAOC3
SCHEMBL16848248 0.85 AOC3 (0.48) PDE4APDE4BPDE4CPDE4DAOC3
SCHEMBL16827495 0.85 AOC3 (0.50) AOC3PKMNPC1RAB9A
SCHEMBL16848253 0.85 AOC3 (0.47) AOC3PKMNPC1RAB9A

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
CN-114195764-B Compound serving as thyroid hormone beta receptor agonist and application thereof 广东东阳光药业股份有限公司 2025-01-17 — — CN disclosed
US-11396495-B2 Amine compound for inhibiting SSAO/VAP-1 and use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-07-26 — — US disclosed
WO-2022057845-A1 COMPOUND SERVING AS THYROID HORMONE β RECEPTOR AGONIST AND USES OF COMPOUND 广东东阳光药业有限公司 2022-03-24 — — WO disclosed
CN-114195764-A Compound as thyroid hormone beta receptor agonist and application thereof 广东东阳光药业有限公司 2022-03-18 — — CN 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-11396495-B2 Amine compound for inhibiting SSAO/VAP-1 and use thereof VCAM1, VAPB, ICAM1 PDE4A 3611/4885PDE4B 3997/4885PDE4C 4140/4885

“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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